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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Designs for scalable construction of hybrid quantum photonic cavities

Nanophotonic resonators are central to numerous applications, from efficient spin–photon interfaces to laser oscillators and precision sensing. A leading approach consists of photonic crystal (PhC) cavities, which have been realized in a wide range of dielectric materials. However, translating proof-of-concept devices into a functional system entails a number of additional challenges, inspiring new approaches that combine resonators with wavelength-scale confinement and high quality factors; scalable integration with integrated circuits and photonic circuits; electrical or mechanical cavity tuning; and, in many cases, a need for heterogeneous integration with functional materials such as III–V semiconductors or diamond color centers for spin–photon interfaces. Here we introduce a concept that generates a finely tunable PhC cavity at a selected wavelength between two heterogeneous optical materials whose properties satisfy the above requirements. The cavity is formed by stamping a hard-to-process material with simple waveguide geometries on top of an easy-to-process material consisting of dielectric grating mirrors and active tuning capability. We simulate our concept for the particularly challenging design problem of multiplexed quantum repeaters based on arrays of cavity-coupled diamond color centers, achieving theoretically calculated unloaded quality factors of 106, mode volumes as small as 1.2(λ/neff)3, and maintaining >60% total on-chip collection efficiency of fluorescent photons. We further introduce a method of low-power piezoelectric tuning of these hybrid diamond cavities, simulating optical resonance shifts up to ∼760 GHz and color center fluorescence tuning of 5 GHz independent of cavity tuning. These results will motivate integrated photonic cavities toward larger scale systems-compatible designs.

Greenspon, Andrew S. (ORCID:0000000296317568)↗
DOE OSTI2022

Interleukin-2 superkines by computational design

Significance While computational engineering of therapeutic proteins is a desirable goal, in practice the optimization of protein–protein interactions requires substantial experimental intervention. We present here a computational approach that focuses on stabilizing core protein structures rather than engineering the protein–protein interface. Using this approach, we designed thermostabilized interleukin-2 (IL-2) variants that bind tightly to their receptor without experimental optimization, mimicking the properties of the yeast-display engineered IL-2 variant “super-2.” Our results suggest that structure-guided stabilization may be a general method for in silico affinity maturation of protein–protein interactions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Accessible, uniform protein property prediction with a scikit-learn based toolset AIDE

Summary Protein property prediction via machine learning with and without labeled data is becoming increasingly powerful, yet methods are disparate and capabilities vary widely over applications. The software presented here, “Artificial Intelligence Driven protein Estimation (AIDE)”, enables instantiating, optimizing, and testing many zero-shot and supervised property prediction methods for variants and variable length homologs in a single, reproducible notebook or script by defining a modular, standardized application programming interface (API), i.e. drop-in compatible with scikit-learn transformers and pipelines. Availability and implementation AIDE is an installable, importable python package inheriting from scikit-learn classes and API and is installable on Windows, Mac, and Linux. Many of the wrapped models internal to AIDE will be effectively inaccessible without a GPU, and some assume CUDA. The newest stable, tested version can be found at https://github.com/beckham-lab/aide_predict and a full user guide and API reference can be found at https://beckham-lab.github.io/aide_predict/. Static versions of both at the time of writing can be found on Zenodo.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Impact of the LiPF6 Concentration on the Interfacial Charge Transfer and Fast-charging Capabilities of Lithium-Ion Batteries

Fast-charging lithium-ion batteries (LIB) demand optimized electrolyte formulations to balance ionic conductivity, viscosity, and interfacial charge transfer kinetics. This study examines how LiPF 6 concentration shapes solvation structure, desolvation energy, charge transfer activation energy, and solid electrolyte interphase (SEI) properties, which are critical for fast-charging performance. Using Raman spectroscopy, electrochemical cycling, X-ray photoelectron spectroscopy, and atomistic modeling, we analyze how varying LiPF 6 concentrations impact interfacial and bulk transport properties. Our findings show that increasing LiPF 6 concentration alters lithium solvation structures, reduces desolvation energy, and accelerates charge transfer at the electrode interface. Higher concentrations lower the activation energy for charge transfer and suppress excessive SEI growth, improving interfacial kinetics. However, concentrations above a certain threshold increase viscosity and reduce ionic conductivity, limiting transport efficiency. These results offer insights into electrolyte solvation and interfacial charge transfer mechanisms, providing guidelines for designing next-generation fast-charging LIB electrolytes with enhanced efficiency, stability, and longevity.

Son, Seoung-Bum [Argonne National Laboratory (ANL)↗
NASA NTRS1977

Velocity and temperature distributions of coal-slag layers on magnetohydrodynamic generators walls

Approximate analytical expressions are derived for the velocity and temperature distributions in steady state coal slag deposits flowing over MHD generator walls. Effects of slag condensation and Joule heating are included in the analysis. The transport conditions and the slag temperature at the slag-gas interface are taken to be known parameters in the formulation. They are assumed to have been predetermined either experimentally or from the slag properties and the gas dynamic calculations of the free stream flow. The analysis assumes a power law velocity profile for the slag and accounts for the coupling between the energy and momentum conservation equations. Comparisons are made with the more exact numerical solutions to verify the accuracy of the results.

Pian, C. C. P.↗
NASA NTRS1983

Identification and management of filament-wound case stiffness parameters

The high specific strength and the high specific modules made graphite epoxy laminate an expedient material substitute for the Shuttle Solid Rocket Motor steel case to substantially increase the payload performance without increasing the composite case axial growth during thrust build up which was constrained to minimize liftoff excitation effects on existing structural elements and interfaces. Parameters associated with axial growth were identified for quality and manufacturing controls. Included is an innovative method for experimentally verifying extensional elastic properties on a laminate pressurized test bottle.

Verderaime, V.↗
NASA NTRS1982

Influence of gravity driven convection on the directional solidification of Bi/MnBi eutectic composites

The role of gravity on Bridgman-Stockharger directional solidification of eutectic Bi/MnBi has been studied in reduced gravity aboard NASA sounding rocket SPAR flight experiments and contrasted with normal gravity investigations. The directional solidification of eutectic Bi/MnBi results in a low volume fraction, faceted/nonfaceted aligned rod eutectic whose MnBi rod size, interrod spacing, thermal and magnetic properties are sensitive functions of solidification processing conditions. The morphology of the low-gravity samples showed striking differences compared with identically processed, normal gravity samples grown in the same apparatus. The MnBi rod diameter and interrod spacing distributions were significantly smaller, approximately 50 percent, for the low gravity samples compared with identically processed one gravity samples. Accompanying the smaller MnBi rod diameters observed in the flight samples, was an increase in permanent magnet properties which reached greater than 97 percent of the theoretical maximum. Gravitationally induced thermal instabilities in one-gravity which result in irregular interface movement and associated difficulty of the faceted MnBi phase to branch are suggested to explain the morphological differences between one and low gravity solidification.

Pirich, R. G.↗
NASA NTRS1987

Tensile behavior of glass/ceramic composite materials at elevated temperatures

This paper describes the tensile behavior of high-temperature composite materials containing continuous Nicalon ceramic fiber reinforcement and glass and glass/ceramic matrices. The longitudinal properties of these materials can approach theoretical expectations for brittle matrix composites, failing at a strength and ultimate strain level consistent with those of the fibers. The brittle, high-modulus matrices result in a nonlinear stress-strain curve due to the onset of stable matrix cracking at 10 to 30 percent of the fiber strain to failure, and at strains below this range in off-axis plies. Current fibers and matrices can provide attractive properties well above 1000 C, but composites experience embrittlement in oxidizing atmospheres at 800 to 1000 C due to oxidation of a carbon interface reaction layer.The oxidation effect greatly increases the interface bond strength, causing composite embrittlement.

Mandell, J. F.↗
NASA NTRS1987

Noncoplanar magnetic fields, shock potentials, and ion deflection

A puzzling aspect of the structure of collisionless shock waves concerns the existence of a component of magnetic field that lies out of the coplanarity plane in the transition layer. It is shown that the existence of this component may be understood and its value calculated from a simple expression derived from first principles. The value of this field component may be derived without reference to the transformation properties of the fields or the changes in energy that the ions and electrons undergo on traversing the electrostatic potential of the shock interface.

Jones, Frank C.↗
NASA NTRS1989

Effects of postcuring on mechanical properties of pultruded fiber-reinforced epoxy composites and the neat resin

The effects of postcuring on mechanical properties of pultruded fiber-reinforced epoxy-resin composites have been investigated. Composites with carbon, glass, and aramid reinforcement fibers were individually studied. The epoxy was a commercially-available resin that was especially developed for pultrusion fabrication. The pultrusions were conducted at 400 F with postcures at 400, 450, 500, and 550 F. Measurements of the flexural, shear, and interlaminar fracture-toughness properties showed that significant postcuring can occur during the pultrusion process. All three mechanical properties were degraded by the higher (500 and 550 F) temperatures; photomicrographs suggest that the degradation was caused at the fiber-resin interface for all three fiber types.

Long, Edward R., Jr.↗
NASA NTRS2000

A Study of Influencing Factors on the Tensile Response of a Titanium Matrix Composite With Weak Interfacial Bonding

The generalized method of cells micromechanics model is utilized to analyze the tensile stress-strain response of a representative titanium matrix composite with weak interfacial bonding. The fiber/matrix interface is modeled through application of a displacement discontinuity between the fiber and matrix once a critical debonding stress has been exceeded. Unidirectional composites with loading parallel and perpendicular to the fibers are examined, as well as a cross-ply laminate. For each of the laminates studied, analytically obtained results are compared to experimental data. The application of residual stresses through a cool-down process was found to have a significant effect on the tensile response. For the unidirectional laminate with loading applied perpendicular to the fibers, fiber packing and fiber shape were shown to have a significant effect on the predicted tensile response. Furthermore, the interface was characterized through the use of semi-emperical parameters including an interfacial compliance and a "debond stress;" defined as the stress level across the interface which activates fiber/matrix debonding. The results in this paper demonstrate that if architectural factors are correctly accounted for and the interface is appropriately characterized, the macro-level composite behavior can be correctly predicted without modifying any of the fiber or matrix constituent properties.

Goldberg, Robert K.↗
NASA NTRS2004

Design/Analysis of Metal/Composite Bonded Joints for Survivability at Cryogenic Temperatures

A major design and analysis challenge for the JWST ISM structure is the metal/composite bonded joints that will be required to survive down to an operational ultra-low temperature of 30K (-405 F). The initial and current baseline design for the plug-type joint consists of a titanium thin walled fitting (1-3mm thick) bonded to the interior surface of an M555/954-6 composite truss square tube with an axially stiff biased lay-up. Metallic fittings are required at various nodes of the truss structure to accommodate instrument and lift-point bolted interfaces. Analytical experience and design work done on metal/composite bonded joints at temperatures below liquid nitrogen are limited and important analysis tools, material properties, and failure criteria for composites at cryogenic temperatures are virtually nonexistent. Increasing the challenge is the difficulty in testing for these required tools and parameters at 30K. A preliminary finite element analysis shows that failure due to CTE mismatch between the biased composite and titanium or aluminum is likely. Failure is less likely with Invar, however an initial mass estimate of Invar fittings demonstrates that Invar is not an automatic alternative. In order to gain confidence in analyzing and designing the ISM joints, a comprehensive joint development testing program has been planned and is currently running. The test program is designed for the correlation of the analysis methodology, including tuning finite element model parameters, and developing a composite failure criterion for the effect of multi-axial composite stresses on the strength of a bonded joint at 30K. The testing program will also consider stress mitigation using compliant composite layers and potential strength degradation due to multiple thermal cycles. Not only will the finite element analysis be correlated to the test data, but the FEA will be used to guide the design of the test. The first phase of the test program has been completed and the preliminary analysis has been revisited based on the test data In this work, we present an overview of the test plan, results today, and resulting design improvements.

Bartoszyk, Andrew E.↗
NASA NTRS2007

Improved C/SiC Ceramic Composites Made Using PIP

Improved carbon-fiber-reinforced SiC ceramic-matrix composite (C/SiC CMC) materials, suitable for fabrication of thick-section structural components, are producible by use of a combination of raw materials and processing conditions different from such combinations used in the prior art. In comparison with prior C/SiC CMC materials, these materials have more nearly uniform density, less porosity, and greater strength. The majority of raw-material/processing-condition combinations used in the prior art involve the use of chemical vapor infiltration (CVI) for densifying the matrix. In contrast, in synthesizing a material of the present type, one uses a combination of infiltration with, and pyrolysis of, a preceramic polymer [polymer infiltration followed by pyrolysis (PIP)]. PIP processing is performed in repeated, tailored cycles of infiltration followed by pyrolysis. Densification by PIP processing takes less time and costs less than does densification by CVI. When one of these improved materials was tested by exposure to a high-temperature, inert-gas environment that caused prior C/SiC CMCs to lose strength, this material did not lose strength. (Information on the temperature and exposure time was not available at the time of writing this article.) A material of the present improved type consists, more specifically, of (1) carbon fibers coated with an engineered fiber/matrix interface material and (2) a ceramic matrix, containing SiC, derived from a pre-ceramic polymer with ceramic powder additions. The enhancements of properties of these materials relative to those of prior C/SiC CMC materials are attributable largely to engineering of the fiber/ matrix interfacial material and the densification process. The synthesis of a material of this type includes processing at an elevated temperature to a low level of open porosity. The approach followed in this processing allows one to fabricate not only simple plates but also more complexly shaped parts. The carbon fiber reinforcement in a material of this type can be in any of several alternative forms, including tow, fabric, or complex preforms containing fibers oriented in multiple directions.

Easler, Timothy↗
NASA NTRS2002

Bird's Eye View - A 3-D Situational Awareness Tool for the Space Station

Even as space-qualified computer hardware lags well behind the latest home computers, the possibility of using high-fidelity interactive 3-D graphics for displaying important on board information has finally arrived, and is being used on board the International Space Station (ISS). With the quantity and complexity of space-flight telemetry, 3-D displays can greatly enhance the ability of users, both onboard and on the ground, to interpret data quickly and accurately. This is particularly true for data related to vehicle attitude, position, configuration, and relation to other objects on the ground or in-orbit Bird's Eye View (BEV) is a 3-D real-time application that provides a high degree of Situational Awareness for the crew. Its purpose is to instantly convey important motion-related parameters to the crew and mission controllers by presenting 3-D simulated camera views of the International Space Station (ISS) in its actual environment Driven by actual telemetry, and running on board, as well as on the ground, the user can visualize the Space Station relative to the Earth, Sun, stars, various reference frames, and selected targets, such as ground-sites or communication satellites. Since the actual ISS configuration (geometry) is also modeled accurately, everything from the alignment of the solar panels to the expected view from a selected window can be visualized accurately. A virtual representation of the Space Station in real time has many useful applications. By selecting different cameras, the crew or mission control can monitor the station's orientation in space, position over the Earth, transition from day to night, direction to the Sun, the view from a particular window, or the motion of the robotic arm. By viewing the vehicle attitude and solar panel orientations relative to the Sun, the power status of the ISS can be easily visualized and understood. Similarly, the thermal impacts of vehicle attitude can be analyzed and visually confirmed. Communication opportunities can be displayed, and line-of-sight blockage due to interference by the vehicle structure (or the Earth) can be seen easily. Additional features in BEV display targets on the ground and in-orbit, including cities, communication sites, landmarks, satellites, and special sites of scientific interest for Earth observation and photography. Any target can be selected and tracked. This gives the user a continual line-of-sight to the target of current interest, and real-time knowledge about its visibility. Similarly, the vehicle ground-track, and an option to show "visibility circles" around displayed ground sites, provide continuous insight regarding current and future visibility to any target BEV was designed with inputs from many disciplines in the flight control and operations community both at NASA and from the International Partners. As such, BEV is setting the standards for interactive 3-D graphics for spacecraft applications. One important contribution of BEV is a generic graphical interface for camera control that can be used for any 3-D applications. This interface has become part of the International Display and Graphics Standards for the 16-nation ISS partnership. Many other standards related to camera properties, and the display of 3-D data, also have been defined by BEV. Future enhancements to BEV will include capabilities related to simulating ahead of the current time. This will give the user tools for analyzing off-nominal and future scenarios, as well as for planning future operations.

Dershowitz, Adam↗
NASA NTRS2013

The DUV Stability of Superlattice-Doped CMOS Detector Arrays

In this paper, we present experimental results and band structure calculations that illuminate the unique properties of superlattice-doped detectors. Numerical band structure calculations are presented to analyze the dependencies of surface passivation on dopant profiles and interface trap densities (Figure 3). Experiments and calculations show that quantum-engineered surfaces, grown at JPL by low temperature molecular beam epitaxy, achieve a qualitative as well as quantitative uniqueness in their near-immunity to high densities of surface and interface traps.

doped silicon surfaces↗
NASA NTRS2015

Use of Generalized Fluid System Simulation Program (GFSSP) for Teaching and Performing Senior Design Projects at the Educational Institutions

This paper describes the experience of the authors in using the Generalized Fluid System Simulation Program (GFSSP) in teaching Design of Thermal Systems class at University of Alabama in Huntsville. GFSSP is a finite volume based thermo-fluid system network analysis code, developed at NASA/Marshall Space Flight Center, and is extensively used in NASA, Department of Defense, and aerospace industries for propulsion system design, analysis, and performance evaluation. The educational version of GFSSP is freely available to all US higher education institutions. The main purpose of the paper is to illustrate the utilization of this user-friendly code for the thermal systems design and fluid engineering courses and to encourage the instructors to utilize the code for the class assignments as well as senior design projects. The need for a generalized computer program for thermofluid analysis in a flow network has been felt for a long time in aerospace industries. Designers of thermofluid systems often need to know pressures, temperatures, flow rates, concentrations, and heat transfer rates at different parts of a flow circuit for steady state or transient conditions. Such applications occur in propulsion systems for tank pressurization, internal flow analysis of rocket engine turbopumps, chilldown of cryogenic tanks and transfer lines, and many other applications of gas-liquid systems involving fluid transients and conjugate heat and mass transfer. Computer resource requirements to perform time-dependent, three-dimensional Navier-Stokes computational fluid dynamic (CFD) analysis of such systems are prohibitive and therefore are not practical. Available commercial codes are generally suitable for steady state, single-phase incompressible flow. Because of the proprietary nature of such codes, it is not possible to extend their capability to satisfy the above-mentioned needs. Therefore, the Generalized Fluid System Simulation Program (GFSSP1) has been developed at NASA Marshall Space Flight Center (MSFC) as a general fluid flow system solver capable of handling phase changes, compressibility, mixture thermodynamics and transient operations. It also includes the capability to model external body forces such as gravity and centrifugal effects in a complex flow network. The objectives of GFSSP development are: a) to develop a robust and efficient numerical algorithm to solve a system of equations describing a flow network containing phase changes, mixing, and rotation; and b) to implement the algorithm in a structured, easy-to-use computer program. The analysis of thermofluid dynamics in a complex network requires resolution of the system into fluid nodes and branches, and solid nodes and conductors as shown in Figure 1. Figure 1 shows a schematic and GFSSP flow circuit of a counter-flow heat exchanger. Hot nitrogen gas is flowing through a pipe, colder nitrogen is flowing counter to the hot stream in the annulus pipe and heat transfer occurs through metal tubes. The problem considered is to calculate flowrates and temperature distributions in both streams. GFSSP has a unique data structure, as shown in Figure 2, that allows constructing all possible arrangements of a flow network with no limit on the number of elements. The elements of a flow network are boundary nodes where pressure and temperature are specified, internal nodes where pressure and temperature are calculated, and branches where flowrates are calculated. For conjugate heat transfer problems, there are three additional elements: solid node, ambient node, and conductor. The solid and fluid nodes are connected with solid-fluid conductors. GFSSP solves the conservation equations of mass and energy, and equation of state in internal nodes to calculate pressure, temperature and resident mass. The momentum conservation equation is solved in branches to calculate flowrate. It also solves for energy conservation equations to calculate temperatures of solid nodes. The equations are coupled and nonlinear; therefore, they are solved by an iterative numerical scheme. GFSSP employs a unique numerical scheme known as simultaneous adjustment with successive substitution (SASS), which is a combination of Newton-Raphson and successive substitution methods. The mass and momentum conservation equations and the equation of state are solved by the Newton-Raphson method while the conservation of energy and species are solved by the successive substitution method. GFSSP is linked with two thermodynamic property programs, GASP2 and WASP3 and GASPAK4, that provide thermodynamic and thermophysical properties of selected fluids. Both programs cover a range of pressure and temperature that allows fluid properties to be evaluated for liquid, liquid-vapor (saturation), and vapor region. GASP and WASP provide properties of 12 fluids. GASPAK includes a library of 36 fluids. GFSSP has three major parts. The first part is the graphical user interface (GUI), visual thermofluid analyzer of systems and components (VTASC). VTASC allows users to create a flow circuit by a 'point and click' paradigm. It creates the GFSSP input file after the completion of the model building process. GFSSP's GUI provides the users a platform to build and run their models. It also allows post-processing of results. The network flow circuit is first built using three basic elements: boundary node, internal node, and branch.

Majumdar, A. K.↗
NASA NTRS2015

The Effect of Core Configuration on Thermal Barrier Thermal Performance

Thermal barriers and seals are integral components in the thermal protection systems (TPS) of nearly all aerospace vehicles. They are used to minimize heat transfer through interfaces and gaps and protect underlying temperature-sensitive components. The core insulation has a significant impact on both the thermal and mechanical properties of compliant thermal barriers. Proper selection of an appropriate core configuration to mitigate conductive, convective and radiative heat transfer through the thermal barrier is challenging. Additionally, optimization of the thermal barrier for thermal performance may have counteracting effects on mechanical performance. Experimental evaluations have been conducted to better understand the effect of insulation density on permeability and leakage performance, which can significantly impact the resistance to convective heat transfer. The effect of core density on mechanical performance was also previously investigated and will be reviewed. Simple thermal models were also developed to determine the impact of various core parameters on downstream temperatures. An extended understanding of these factors can improve the ability to design and implement these critical TPS components.

flow tests↗
NASA NTRS2018

Systems and Methods for Post-Treatment of Dry Adhesive Microstructures

Provided are systems and methods for the post-treatment of dry adhesive microstructures. The microstructures may be post-treated to comprise mushroom-like flaps at their tips to interface with the contact surface. In some aspects, a change in material composition of the microstructures in a dry adhesive may affect mechanical properties to enhance or diminish overall adhesive performance. For example, conductive additives can be added to the material to improve adhesive performance. In other aspects, microstructures comprising conductive material may allow for pre-load engagement sensing systems to be integrated into the microstructures.

Dadkhah Tehrani, Mohammad↗