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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Molecular origin of viscoelasticity and influence of methylation in mesophase pitch

The viscoelastic and thermomechanical properties of pitches are responsible for their melt-spinning behavior, which is a critical step for manufacturing high-performance pitch-based carbon fibers. Here, we systematically explore the impact of methyl group modifications on the viscoelastic and thermal properties of mesophase pitches. We employ a range of atomistic modeling approaches, including Density Functional Theory (DFT), Density Functional Tight Binding (DFTB), and Classical Molecular Mechanics (MM), to provide detailed insights into the molecular interactions and structural changes. Further, our results revealed the molecular mechanisms that promote layered structures leading to the anisotropic nature of the viscoelastic behavior of mesophase pitch. Furthermore, we propose a modified molecular representation of naphthalene-based mesophase pitch based on the analysis of x-ray diffraction measurements. This study provides fundamental insights into the molecular structures of mesophase pitch and the role of methyl groups controlling its viscosity, which offer valuable insights into mesophase-based carbon fiber production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Isothermal fatigue mechanisms in Ti-based metal matrix composites

Stress-controlled isothermal fatigue experiments were performed at room temperature (RT) and 548 C (in argon) on (0)8 SCS6/Ti 15-3 metal matrix composites (MMC's) with 15 and 41 volume percent SCS6 (SiC) fibers. The primary objectives were to evaluate the mechanical responses, and to obtain a clear understanding of the damage mechanisms leading to failure of the MMC's. The mechanical data indicated that strain ranges attained fairly constant values in the stress-controlled experiments at both RT and 538 C, and remained so for more than 85 percent of life. The fatigue data for MMC's with different volume fraction fibers showed that MMC life was controlled by the imposed strain range rather than the stress range. At RT, and at low and intermediate strain ranges, the dominant fatigue mechanism was matrix fatigue, and this was confirmed metallurgically from fractographic evidence as well as from observations of channel type dislocation structures in the matrix of fatigued MMC specimens. Reaction-zone cracks acted as important crack initiating sites at RT, with their role being to facilitate slip band formation and consequent matrix crack initiation through classical fatigue mechanisms. MMC life agreed with matrix life at the lower strain ranges, but was smaller than matrix life at higher strain ranges. Unlike the case of monotonic deformation, debonding damage was another major damage mechanism during fatigue at RT, and it increased for higher strain ranges. At high strain ranges at RT, fractography and metallography showed an absence of matrix cracks, but long lengths of debonds in the outer layers of the SCS6 fibers. Such debonding and consequent rubbing during fatigue is believed to have caused fiber damage and their failure at high strain ranges. Thus, whereas life was matrix dominated at low and intermediate strain ranges, it was fiber dominated at high strain ranges. At 538 C, the mean stain constantly increased (ratchetting) with the number of cycles. At high strain ranges, such ratchetting led to overload failure of the fibers, and debonding of the type at RT was very small. At intermediate strain ranges, fractography showed large areas of matrix cracks. However, in spite of this matrix dominated mechanism, the MMC life at elevated temperatures was significantly less than the matrix fatigue life at all strain ranges. The reason for this difference is still unclear, although metallographic and fractographic evidences suggest that internal crack initiation sites at Mo-ribbons and reaction-zone cracks may have played a critical role, with the former tending to dominate.

Majumdar, Bhaskar S.↗
NASA NTRS1999

Coupling of Low Speed Fan Stator Vane Unsteady Pressures to Duct Modes: Measured versus Predicted

Uniform-flow annular-duct Green's functions are the essential elements of the classical acoustic analogy approach to the problem of computing the noise generated by rotor-stator interaction inside the fan duct. This paper investigates the accuracy of this class of Green's functions for predicting the duct noise levels when measured stator vane unsteady surface pressures are used as input to the theoretical formulation. The accuracy of the method is evaluated by comparing the predicted and measured acoustic power levels for the NASA 48 inch low speed Active Noise Control Fan. The unsteady surface pressures are measured,by an array of microphones imbedded in the suction and pressure sides of a single vane, while the duct mode levels are measured using a rotating rake system installed in the inlet and exhaust sections of the fan duct. The predicted levels are computed using properly weighted integrals of measured surface pressure distribution. The data-theory comparisons are generally quite good particularly when the mode cut-off criterion is carefully interpreted. This suggests that, at least for low speed fans, the uniform-flow annular-duct Green's function theory can be reliably used for prediction of duct mode levels if the cascade surface pressure distribution is accurately known.

Sutliff, Daniel L.↗
NASA NTRS2007

Closed Loop, DM Diversity-based, Wavefront Correction Algorithm for High Contrast Imaging Systems

High contrast imaging from space relies on coronagraphs to limit diffraction and a wavefront control systems to compensate for imperfections in both the telescope optics and the coronagraph. The extreme contrast required (up to 10(exp -10) for terrestrial planets) puts severe requirements on the wavefront control system, as the achievable contrast is limited by the quality of the wavefront. This paper presents a general closed loop correction algorithm for high contrast imaging coronagraphs by minimizing the energy in a predefined region in the image where terrestrial planets could be found. The estimation part of the algorithm reconstructs the complex field in the image plane using phase diversity caused by the deformable mirror. This method has been shown to achieve faster and better correction than classical speckle nulling.

Give'on, Amir↗
DOE OSTI2025

Tuning water dissociation at oxide–electrolyte interfaces with electric fields

Understanding how electric fields influence water dissociation at heterogeneous interfaces is crucial for controlling interfacial chemical reactions and advancing next-generation energy technologies. Herein, ab initio–based machine learning simulations show that even small electric field changes can significantly alter the water dissociation fraction at planar TiO 2 –electrolyte interfaces. The resulting free energy difference between undissociated and dissociated interfacial water exhibits a linear dependence on the field change with a slope of 1.97 eÅ, which far exceeds the dissociation-induced dipole change of a water molecule. Employing a machine-learned collective variable to investigate the reaction statistics of thousands of water dissociation/recombination events, we find that small electric field changes exert minor effects on individual reaction energy barriers but significantly influence the populations of local configurations associated with initial states that are most favorable for reactions. These findings elucidate the pronounced impact of electric fields on interfacial water dissociation and reveal a mechanism for electric-field-controlled chemical reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Confinement-controlled selective CO 2 insertion into a dicopper dihydride core: A multiscale mechanistic study

CO 2 is an abundant C 1 feedstock for fuel and chemical synthesis. We have previously demonstrated experimentally a stepwise insertion of CO 2 into a [Cu 2 H 2 ] core via a solid–gas in crystallo reaction, forming formate species that are unstable and inaccessible under solution-phase conditions. This work elucidates how structural confinement within the crystal lattice enables such selective reactivity. In particular, co-crystallized tetrahydrofuran molecules induce site asymmetry around the [Cu 2 H 2 ] unit, modulating both the local electronic environment and CO 2 diffusion pathways. Using a multiscale computational approach that combines classical molecular mechanics, hybrid quantum mechanics/molecular mechanics molecular dynamics, and enhanced-sampling free energy calculations, we demonstrate how site asymmetry affects CO 2 binding affinities and reaction pathways. These results provide detailed mechanistic insight into CO 2 insertion and hydride transfer, highlighting key differences between crystal- and solution-phase pathways and offering a general framework for understanding how lattice confinement shapes chemical reactivity.

Chemical bonding↗
DOE OSTI2025

Emergent Inductance from Chiral Orbital Currents in a Bulk Ferrimagnet

Here, we report the discovery of a new form of inductance in the bulk ferrimagnet Mn 3 ⁢Si 2 ⁢Te 6 , which features strong spin-orbit coupling, large magnetic anisotropy, and pronounced magnetoelastic interactions. Below its Curie temperature (𝑇 𝐶 ≈ 78 K), Mn 3 ⁢Si 2 ⁢Te 6 hosts chiral orbital currents (COC) that circulate within the crystal lattice and give rise to collective electronic behavior [Control of chiral orbital currents in a colossal magnetoresistance material, Nature (London) 611, 467 (2022).]. By applying a magnetic field along the hard 𝑐 axis and driving the system with low-frequency currents, we uncover a giant inductive response up to millhenry scale, originating from first-order reconfigurations of COC domains. These domains act as coherent mesoscopic inductive elements that resist reversal upon current reduction, producing a large electromotive force and sharply increasing voltage. This emergent inductance defies classical models, occurs without superconductivity or engineered nanostructures, and opens a new frontier in orbital-based quantum functionality and device concepts.

complex materials↗
DOE OSTI2025

Automated vehicle microscopic energy consumption study (AV-Micro): Data collection and model development

While the Adaptive Cruise Control (ACC) system in automated vehicles (AVs) is expected to impact transportation energy significantly, existing AV energy consumption models only directly adopt those developed with Human-driven Vehicle (HV) data without even slight adaptation or calibration to accommodate unique AV energy consumption features. This study will investigate how accurately HV data-based models can predict the energy consumption of AVs. Empirical trajectory data and corresponding instantaneous energy consumption rates from both AVs and HVs were collected. We adopted two classical HV data-based models to fit these data. The calibration results indicated that these models yield around 20 30% prediction errors for AVs. To further improve the prediction accuracy, this study designed an AV-Micro model by incorporating components of multiple classic energy consumption models that better capture ACC energy consumption features, including piecewise driving behavior. With this, the AV-Micro model achieves lower than 10% prediction errors. The AV-Micro model’s high consistency across different test runs was verified with statistical significance tests, demonstrating its adaptability in different driving profiles. To confirm the discrepancies between the energy consumption features of AVs and HVs, more statistical significance tests were conducted to show that the AV-Micro model cannot be directly applied to HV data. The findings by calibrated AV-Micro models revealed that AVs consume approximately 80.5–146.4 J more energy than HVs for each meter traveled. Furthermore, the frequency analysis of energy consumption indicates that there is still some room for AVs to improve energy efficiency, particularly given their larger amplitude high-frequency fluctuations.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Coherent control of strongly interacting spins in the solid-state

The major goal of this project is to develop coherent interacting spin systems in the solid state, based on rare earth ions. By leveraging the ability to controllably incorporate rare earth ions such as Er into a solid-state host, and maintain individual-ion addressability below the diffraction limit based on inhomogeneous broadening, we aim to create strongly interacting electron spin clusters with individual-site control. Performing spectroscopy of these strongly interacting systems will shed light on their fundamental properties, as well as enable applications to quantum information science, in particular quantum networks that are also enabled by a telecom-band spin-photon interface in Er.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1998

Comparison of Five System Identification Algorithms for Rotorcraft Higher Harmonic Control

This report presents an analysis and performance comparison of five system identification algorithms. The methods are presented in the context of identifying a frequency-domain transfer matrix for the higher harmonic control (HHC) of helicopter vibration. The five system identification algorithms include three previously proposed methods: (1) the weighted-least- squares-error approach (in moving-block format), (2) the Kalman filter method, and (3) the least-mean-squares (LMS) filter method. In addition there are two new ones: (4) a generalized Kalman filter method and (5) a generalized LMS filter method. The generalized Kalman filter method and the generalized LMS filter method were derived as extensions of the classic methods to permit identification by using more than one measurement per identification cycle. Simulation results are presented for conditions ranging from the ideal case of a stationary transfer matrix and no measurement noise to the more complex cases involving both measurement noise and transfer-matrix variation. Both open-loop identification and closed- loop identification were simulated. Closed-loop mode identification was more challenging than open-loop identification because of the decreasing signal-to-noise ratio as the vibration became reduced. The closed-loop simulation considered both local-model identification, with measured vibration feedback and global-model identification with feedback of the identified uncontrolled vibration. The algorithms were evaluated in terms of their accuracy, stability, convergence properties, computation speeds, and relative ease of implementation.

Jacklin, Stephen A.↗
NASA NTRS1996

Imaging Radar Applications in the Death Valley Region

Death Valley has had a long history as a testbed for remote sensing techniques (Gillespie, this conference). Along with visible-near infrared and thermal IR sensors, imaging radars have flown and orbited over the valley since the 1970's, yielding new insights into the geologic applications of that technology. More recently, radar interferometry has been used to derive digital topographic maps of the area, supplementing the USGS 7.5' digital quadrangles currently available for nearly the entire area. As for their shorter-wavelength brethren, imaging radars were tested early in their civilian history in Death Valley because it has a variety of surface types in a small area without the confounding effects of vegetation. In one of the classic references of these early radar studies, in a semi-quantitative way the response of an imaging radar to surface roughness near the radar wavelength, which typically ranges from about 1 cm to 1 m was explained. This laid the groundwork for applications of airborne and spaceborne radars to geologic problems in and regions. Radar's main advantages over other sensors stems from its active nature- supplying its own illumination makes it independent of solar illumination and it can also control the imaging geometry more accurately. Finally, its long wavelength allows it to peer through clouds, eliminating some of the problems of optical sensors, especially in perennially cloudy and polar areas.

Farr, Tom G.↗
NASA NTRS2003

Combustion Of Interacting Droplet Arrays In Microgravity

Theory and experiments involving single droplet combustion date back to 1953, with the first microgravity work appearing in 1956. The problem of a spherical droplet burning in an infinite, quiescent microgravity environment is a classical problem in combustion research with the classical solution appearing in nearly every textbook on combustion. The microgravity environment offered by ground-based facilities such as drop towers and space-based facilities is ideal for studying the problem experimentally. A recent review by Choi and Dryer shows significant advances in droplet combustion have been made by studying the problem experimentally in microgravity and comparing the results to one dimensional theoretical and numerical treatments of the problem. Studying small numbers of interacting droplets in a well-controlled geometry represents a logical step in extending single droplet investigations to more practical spray configurations. Studies of droplet interactions date back to Rex and co-workers, and were recently summarized by Annamalai and Ryan. All previous studies determined the change in the burning rate constant, k, or the flame characteristics as a result of interactions. There exists almost no information on how droplet interactions a effect extinction limits, and if the extinction limits change if the array is in the diffusive or the radiative extinction regime. Thus, this study examined experimentally the effect that droplet interactions have on the extinction process by investigating the simplest array configuration, a binary droplet array. The studies were both in normal gravity, reduced pressure ambients and microgravity facilities. The microgravity facilities were the 2.2 and 5.2 second drop towers at the NASA Glenn Research Center and the 10 second drop tower at the Japan Microgravity Center. The experimental apparatus and the data analysis techniques are discussed in detail elsewhere.

Dietrich, D. L.↗
NASA NTRS1997

Interactive Educational Tool for Turbofan and Afterburning Turbojet Engines

A workstation-based, interactive educational computer program has been developed at the NASA Lewis Research Center to aid in the teaching and understanding of turbine engine design and analysis. This tool has recently been extended to model the performance of two-spool turbofans and afterburning turbojets. The program solves for the flow conditions through the engine by using classical one-dimensional thermodynamic analysis found in various propulsion textbooks. Either an approximately thermally perfect or calorically perfect gas can be used in the thermodynamic analysis. Students can vary the design conditions through a graphical user interface; engine performance is calculated immediately. A variety of graphical formats are used to present results, including numerical results, moving bar charts, and student-generated temperature versus entropy (Ts), pressure versus specific volume (pv), and engine performance plots. The package includes user-controlled printed output, restart capability, online help screens, and a browser that displays teacher-prepared lessons in turbomachinery. The program runs on a variety of workstations or a personal computer using the UNIX operating system and X-based graphics. It is being tested at several universities in the midwestern United States; the source and executables are available free from the author.

Benson, Thomas J.↗
NASA NTRS2014

Multi-point Adjoint-Based Design of Tilt-Rotors in a Noninertial Reference Frame

Optimization of tilt-rotor systems requires the consideration of performance at multiple design points. In the current study, an adjoint-based optimization of a tilt-rotor blade is considered. The optimization seeks to simultaneously maximize the rotorcraft figure of merit in hover and the propulsive efficiency in airplane-mode for a tilt-rotor system. The design is subject to minimum thrust constraints imposed at each design point. The rotor flowfields at each design point are cast as steady-state problems in a noninertial reference frame. Geometric design variables used in the study to control blade shape include: thickness, camber, twist, and taper represented by as many as 123 separate design variables. Performance weighting of each operational mode is considered in the formulation of the composite objective function, and a build up of increasing geometric degrees of freedom is used to isolate the impact of selected design variables. In all cases considered, the resulting designs successfully increase both the hover figure of merit and the airplane-mode propulsive efficiency for a rotor designed with classical techniques.

Jones, William T.↗
DOE OSTI2025

The Elements of Life, Photosynthesis and Genomics

I am a Professor of Biochemistry, Biophysics and Structural Biology and Plant and Microbial Biology at the University of California in Berkeley. I was born and raised in India, emigrated to the United States to attend university, earning a B.S. in Molecular Biology and a Ph.D. in Biochemistry at the University of Wisconsin in Madison. Following post-doctoral studies with Lawrence Bogorad at Harvard University where I became interested in genetic control of trace element quotas, I joined the department of Chemistry and Biochemistry at UCLA. One of the first to appreciate essential trace metals as potential regulators of gene expression, I articulated the details of the nutritional Cu regulon in Chlamydomonas. In parallel, I used genetic approaches to discover the genes governing missing steps in tetrapyrrole metabolism, including the attachment of heme to apocytochromes in the thylakoid lumen and the factors catalyzing the formation of ring V in chlorophyll. After biochemistry and classical genetics, I embraced genomics, taking a leadership role on the Joint Genome Institute’s efforts on the Chlamydomonas genome and more recently, contributing to high quality assemblies of several genomes in the green algal radiation, and large transcriptomic and proteomic datasets — focusing on the diel metabolic cycle in synchronized cultures and acclimation to key environmental and nutritional stressors — that are well-used and appreciated by the community. Finally, a new venture in Berkeley is the promotion of Auxenochlorella protothecoides as the true “green yeast” and as a platform for engineering algae to produce useful bioproducts.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Building workflows for an interactive human-in-the-loop automated experiment (hAE) in STEM-EELS

Exploring the structural, chemical, and physical properties of matter on the nano- and atomic scales has become possible with the recent advances in aberration-corrected electron energy-loss spectroscopy (EELS) in scanning transmission electron microscopy (STEM). However, the current paradigm of STEM-EELS relies on the classical rectangular grid sampling, in which all surface regions are assumed to be of equal a priori interest. However, this is typically not the case for real-world scenarios, where phenomena of interest are concentrated in a small number of spatial locations, such as interfaces, structural and topological defects, and multi-phase inclusions. One of the foundational problems is the discovery of nanometer- or atomic-scale structures having specific signatures in EELS spectra. Herein, we systematically explore the hyperparameters controlling deep kernel learning (DKL) discovery workflows for STEM-EELS and identify the role of the local structural descriptors and acquisition functions in experiment progression. In agreement with the actual experiment, we observe that for certain parameter combinations the experiment path can be trapped in the local minima. We demonstrate the approaches for monitoring the automated experiment in the real and feature space of the system and knowledge acquisition of the DKL model. Based on these, we construct intervention strategies defining the human-in-the-loop automated experiment (hAE). This approach can be further extended to other techniques including 4D STEM and other forms of spectroscopic imaging. The hAE library is available on Github at https://github.com/utkarshp1161/hAE/tree/main/hAE.

Pratiush, Utkarsh [Univ. of Tennessee, Knoxville, ↗
NASA NTRSDate not supplied

Nearfield Anisotropic Mesh Adaptivity for the Third AIAA Sonic Boom Workshop

The Third AIAA Sonic Boom Workshop provides a unique opportunity to verify nearfield Computational Fluid Dynamics (CFD) tools. The workshop gathered nearfield CFD pressures from families of Mach-aligned, manually-tailored meshes on the C608 Low Boom Flight Test Demonstrator and the shock-plume interaction wind tunnel model. Here two classical adaptive strategies, multiscale and goal-oriented, are compared to the results obtained on tailored grids. The multiscale strategy is implemented independently in two separate toolsets. Details of the adapted mesh density are shown that resolve the complex interaction of boundary layers, shocks, expansions, and vortical structures. Mesh convergence of nearfield pressure signatures and their integral is shown. These detailed comparisons between adapted and manually-tailored meshes and independent implementations of mesh adaptation demonstrate the readiness of these methods for controlling the discretization error of nearfield sonic boom predication.

Julien Vanharen↗
DOE OSTI2026

Solution structures in alkali nitrates and nitrites at high concentrations

In highly concentrated electrolyte solutions, where classical models often fail, specific ion–solvent interactions dictate bulk properties. Here, in this study, we combine small-angle X-ray scattering (SAXS) and Raman spectroscopy to link molecular coordination to mesoscale structure across alkali nitrate and nitrite solutions. Our results reveal a structural hierarchy driven by cation identity in that smaller cations (Li + , Na + ) form discrete contact ion pairs, while larger cations (K + , Rb + ) promote increasingly disordered local coordination and extended solute–solvent networks. Using nitrite salts as a structural control, we confirm this organizing principle across different anion geometries. Cs + undergoes a concentration-induced transition to a uniquely ordered state, resulting in a highly structured solution. This work provides a direct, mechanistic explanation for how cation choice dictates the ‘rules’ of solution architecture, offering a predictive basis for understanding phase behavior in complex industrial and environmental systems.

Mergelsberg, Sebastian T. [Pacific Northwest Natio↗