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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Slow Crack Growth of Brittle Materials With Exponential Crack-Velocity Formulation: Analysis - Part 1

Extensive slow-crack-growth (SCG) analysis was made using a primary exponential crack-velocity formulation under three widely used load configurations: constant stress rate, constant stress, and cyclic stress. Although the use of the exponential formulation in determining SCG parameters of a material requires somewhat inconvenient numerical procedures, the resulting solutions presented gave almost the same degree of simplicity in both data analysis and experiments as did the power-law formulation. However, the fact that the inert strength of a material should be known in advance to determine the corresponding SCG parameters was a major drawback of the exponential formulation as compared with the power-law formulation.

Choi, Sung R.↗
DOE OSTI2025

Numerical design considerations for vapor transport deposition of metal-halide perovskite thin films

While metal-halide perovskites (MHPs) offer high efficiency and potential application in single junction and tandem solar cells, challenges remain in translating solution-based methods to commercial-scale production. Vapor transport deposition (VTD) offers advantages such as precise control over film composition and purity, as well as the possibility of achieving high thin film deposition rates for scale-up. In this work, a numerical model is developed to simulate the deposition process, analyzing the impact of parameters including source material temperature, carrier gas and dilution gas flow rates, and chamber pressure to optimize deposition rates and film uniformity. Geometrical parameters, such as throw distance, are also found to significantly affect rate and uniformity. Furthermore, the modeling results presented here offer valuable insight for improving the scalability of VTD for the processing of metal-halide perovskites.

Chemical vapor deposition↗
NASA NTRS1991

Phenomenological and experimental study of the thermal response of low density silica ablators to high enthalpy plasma flows

A complete analysis of the melting-ablator governing equations is carried out for porous ablators with the purpose of establishing an approximate analytical model capable of determining surface recession, temperature, and heat flux as well as in-depth temperature profiles. A detailed dimensional analysis of the melt-flow governing equations is performed for parameters applicable to high-enthalpy flows. Results of arc-jet flow experiments performed on NASA Reusable Surface Insulation materials of different densities and over a range of stagnation pressures and heat fluxes are discussed. A dimensionless correlation for melt run-offs is derived in terms of material and flow parameters; however, it is pointed out that the accuracy of the current data is sufficient to conclude the compliance with the model.

Henline, William D.↗
DOE OSTI2024

A Redox-Electrodialysis Model with Zero Fitting Parameters: Insights into Process Limitations, Design, and Material Interventions

Redox-Electrodialysis (r-ED) is an electrochemical desalination cell architecture that has recently received considerable interest, due to its low energy demand relative to electrochemical desalination technologies that rely on electrode-based ion removal. To further improve the energy efficiency of r-ED, we developed a lumped mathematical model with no adjustable parameters to investigate the various sources of overpotential within the cell. Existing models of electrodialysis and r-ED cells either do not accurately incorporate all phenomena contributing to the overpotential or utilize empirical fitting parameters. The model developed here indicates that ohmic overpotentials, especially in the diluate chamber, are the most significant contributors to energy losses. Based on this insight, we hypothesized that adding an ion exchange resin wafer in the diluate compartment would increase the ionic conductivity and decrease the energy demand. Experimental results showed an 18% reduction in specific energy use while achieving the same degree of salt removal (20 mM to 12 mM). Furthermore, the resin wafer enabled complete desalination to potable drinking levels at a current density previously unachievable within practical operating voltage limits (4.93 mA cm -2 ). We also expanded the model to explore differences in r-ED energy use between configurations using multiple cells and a single cell with increased area.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Improved Manufacturability and Throughput of Ultra- Transparent, Super-Insulating Aerogels

AeroShield Materials produces a novel silica aerogel material with exemplary thermal performance and unprecedented optical clarity, offering the potential for super-insulating fenestration and insulated glass to reduce thermal losses in the built environment by billions of dollars every year. One of the most significant challenges facing AeroShield today is the total amount of time that is required to produce large monolithic aerogel samples. This overall process can require as much as 144 hours total, which can significantly hinder scale-up to an economically viable product. The purpose of this Phase 1 research was to continue development of our novel aerogel manufacturing process to reduce material processing time by up to 10x, greatly improving product throughput and reducing cost. AeroShield’s manufacturing process can be divided into 4 major stages, each with their own distinct set of parameters and time requirements. Under this Phase 1 award, AeroShield was able to identify and optimize a number of these parameters, including molding materials, solvent rinse conditions, critical point drying time, and annealing conditions. AeroShield also performed thorough analyses on how these optimized parameters affected important final characteristics of the gels, including optical clarity, thermal conductivity, and dimensional stability. This campaign culminated in the production of laboratory scale aerogel samples using significantly lower process times of both 36 and 18 total hours, which represent Phase 1 Target and Stretch goals. In order to achieve widespread market adoption, monolithic sheets of the aerogel material must be made to industry-standard sizes (8’ x 12’) at a cost that provides 5-7 year or less breakeven energy savings for consumers (<$2 sq/ft). The work performed under this Phase 1 award shows that time and materials required to make aerogel samples, which make up a significant portion of their overall cost, can be greatly reduced without sacrificing quality. AeroShield plans to use these optimized processes to produce larger, product-relevant sized aerogels in order to achieve target final material costs.

Wilke, Kyle↗
DOE OSTI2025

Machine Learning-Based Process Control for Injection Molding of Recycled Polypropylene

The increased interest in artificial intelligence in manufacturing has driven the adoption of machine learning to optimize processes and improve efficiency. A key challenge in injection molding is the variability of recycled materials, which affects part quality and processing stability. This study presents a novel closed-loop process control approach for injection molding, leveraging machine learning to adaptively predict processing inputs and quality outcomes. The methodology was tested on five blends of recycled polypropylene (rPP), using artificial neural networks (ANNs), linear regression, and polynomial regression to model the relationships between material properties and process parameters. The dataset was split 80/20 into training and testing sets. The ANN model was implemented using TensorFlow and Keras, with six hidden layers of 32 neurons per layer, ReLU activation, and an Adam optimizer. Empirical tuning and early stopping were used to optimize performance and prevent overfitting. Predictions were evaluated based on mean absolute error (MAE), mean squared error (MSE), and percentage error. The results showed that yield stress, ultimate elongation, and part weight were accurately predicted within a 5% error for linear and polynomial regression models and within a 10% error for the ANN. However, modulus predictions were less reliable, with errors of ~11% for ANN and linear regression and ~40% for polynomial regression, reflecting the inherent variability of this property in rPP blends. Predictions of processing inputs had errors ranging from 3% to 25%, depending on the model and response variable. No single modeling approach was consistently superior across all responses, highlighting the complexity of the relationship between material properties, process parameters, and quality metrics. Overall, the work demonstrates that closed-loop process control, powered by machine learning, can effectively predict key quality parameters in injection molding of recycled materials. The proposed approach can improve process stability and material utilization, facilitating increased adoption of sustainable materials.

Krantz, Joshua↗
DOE OSTI2021

Neutron diffraction study of magnetism in van der Waals layered MnBi 2n Te 3n+1

Two-dimensional van der Waals MnBi 2 n Te 3 n +1 ( n = 1, 2, 3, 4) compounds have been recently found to be intrinsic magnetic topological insulators rendering quantum anomalous Hall effect and diverse topological states. Here, we summarize and compare the crystal and magnetic structures of this family, and discuss the effects of chemical composition on their magnetism. We found that a considerable fraction of Bi occupies at the Mn sites in MnBi 2 n Te 3 n +1 ( n = 1, 2, 3, 4) while there is no detectable Mn at the non-magnetic atomic sites within the resolution of neutron diffraction experiments. The occupancy of Mn monotonically decreases with the increase of n . The polarized neutron diffraction on the representative MnBi 4 Te 7 reveals that its magnetization density is exclusively accumulated at the Mn site, in good agreement with the results from the unpolarized neutron diffraction. The defects of Bi at the Mn site naturally explain the continuously reduced saturated magnetic moments from n = 1 to n = 4. The experimentally estimated critical exponents of all the compounds generally suggest a three-dimensional character of magnetism. Our work provides material-specified structural parameters that may be useful for band structure calculations to understand the observed topological surface states and for designing quantum magnetic materials through chemical doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Tailoring Charge Transport and Magnetism in Complex Half-Heusler/Full-Heusler Nanocomposites (Final Report)

This project exploits (1) the facile co-crystallization of the half-Heusler (HH) and full-Heusler (FH) structures, (2) the high coherency and stability of the HH/FH interfaces, and (3) the solid-state inter-conversion between HH and FH structures through local atomic diffusion, to investigate, for selected compositions of the HH and FH phases, the effect of size, dimensionality, dispersion and volume fraction of FH nanostructures on the electronic, phonon and magnetic behavior of the resulting HH/FH nanocomposites. Our goal is to identify and control key material and growth parameters governing phase formation, microstructural evolution, and to understand the mechanism by which these changes of the internal structure modify the material’s performance. To elucidate the mechanism by which the FH nanostructures regulate electronic charge transport and induce ferromagnetism within non-magnetic and magnetic semiconducting HH matrices, suitable series of HH/0D-FH and HH/2D-FH nanocomposites will be fabricated using synthesis conditions suggested by theoretical calculations of the formation energy and stability of various FH phases (varying M) in HH matrices with known chemical composition. The structure of the HH/FH interfaces (size, chemical composition, volume fraction and dispersion) will be investigated along with the evaluation of the electronic (carrier density, mobility, thermopower, electrical conductivity, effective mass), thermal and magnetic (susceptibility, magnetization etc.) properties of the resulting HH/FH nanocomposites.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Theoretical Study of the Transverse Dielectric Constant of Superlattices and Their Alloys

The optical properties of III to V binary and ternary compounds and GaAs-Al(x)Ga(1-x)As superlattices are determined by calculating the real and imaginary parts of the transverse dielectric constant. Emphasis is given to determining the influence of different material and superlattice parameters on the values of the index of refraction and absorption coefficient. In order to calculate the optical properties of a material, it is necessary to compute its electronic band structure. This was accomplished by introducing a partition band structure approach based on a combination of the vector k x vector p and nonlocal pseudopotential techniques. The advantages of this approach are that it is accurate, computationally fast, analytical, and flexible. These last two properties enable incorporation of additional effects into the model, such as disorder scattering, which occurs for alloy materials and excitons. Furthermore, the model is easily extended to more complex structures, for example multiple quantum wells and superlattices. The results for the transverse dielectric constant and absorption coefficient of bulk III to V compounds compare well with other one-electron band structure models and the calculations show that for small frequencies, the index of refraction is determined mainly by the contibution of the outer regions of the Brillouin zone.

Kahen, K. B.↗
NASA NTRS1986

Thin film growth rate effects for primary ion beam deposited diamondlike carbon films

Diamondlike carbon (DLC) films were grown by primary ion beam deposition and the growth rates were measured for various beam energies, types of hydrocarbon gases and their ratio to Ar, and substrate materials. The growth rate had a linear dependence upon hydrocarbon content in the discharge chamber, and only small dependence on other parameters. For given deposition conditions a threshold in the atomic ratio of carbon to argon gas was identified below which films did not grow on fused silica substrate, but grew on Si substrate and on existing DLC films. Ion source deposition parameters and substrate material were found to affect the deposition threshold and film growth rates.

Nir, D.↗
NASA NTRS1990

A user-friendly menu-driven language-free laser characteristics curves graphing program

In the selection of laser materials to be used as active sensors, it is essential to know how various factors of the specific material composition interact. Questions such as how does the rod size and frequency or absorption relate and how might this be affected by temperature variations must be answered before the materials are selected. A menu-driven language-free program was developed that would graph the interrelationship of many physical parameters of laser materials. This program reduced or removed the requirement that all users be competent in FORTRAN. A menu-driven language-free program was then developed that requires the use of a microcomputer to graph a two-dimensional display of data. The ability to graph more than one graph-line on the same chart was accomplished. The program is now generic in that it will take any data file whether in the data base or not. The program generates the format for the data read statement if it is not contained in the file header and the user does not know how to write them.

Klutz, Glenn↗
NASA NTRS1979

Fabrication methods for construction from lunar materials

Cost-driving parameters of space industrialization are discussed, specifically cost of transportation from earth to low earth orbit and productivity of labor in space. A design procedure for a space manufacturing facility (SMF) is outlined, and the design of a reference SMF is described. This SMF receives lunar materials and converts them to components of space structures such as solar power satellites. The effect of machine reliability is discussed. The SMF appears versatile and productive, and the space environment has some beneficial characteristics which may simplify manufacturing processes. Technology demonstration programs are needed, but prototypes of SMF equipment can be small devices.

Miller, R. H.↗
DOE OSTI2024

Chapter 4: Physically informed deep learning networks for simulating microstructure evolution of 3D polycrystals

As discussed in the previous chapter, high energy diffraction microscopy (HEDM) is used to study the micromechanical evolution of a material during in situ loading. HEDM experiments have been used to verify crystal plasticity (CP) simulations [119, 91, 90, 120], for experimental planning, material design, and to further analyze experimental results. However, Fast Fourier transform-based CP (CP-FFT) or finite element-based CP (CP-FE) methods are often too slow to be used in real-time during an experiment. CP-FFT is faster than CP-FE simulations due to the absence of meshing, but can still take hours to simulate the response of a single volume depending on the size and number of strain steps [127]. Reducing computation time would create a larger exploration space in planning and design, and enable faster analysis of experimental results and real-time feedback during an experiment. This research expands upon previous works to develop a workflow for predicting the full-field evolution of a 3D polycrystal. The workflow is simplified from previous works to predict only orientation and elastic strain tensors (from which stress tensors are calculated). The network is physically informed through loss functions and network architecture for a more robust model. The orientation predictions are informed about the cubic crystal symmetry of the material by incorporating disorientation and misorientation information into the network architecture and loss. The Von Mises stress is used to enforce the correct stress-strain trends in the strain tensor predictions. Additional total strain steps from the elastic and elastoplastic region are included to better capture the stress-strain evolution at smaller total strain steps. Material and hardening parameters are additional inputs into the networks to further inform the network and to study the network’s ability to predict different materials other than those used for training.

36 MATERIALS SCIENCE↗
DOE OSTI2024

N-Doped Graphene (N-G)/MOF(ZIF-8)-Based/Derived Materials for Electrochemical Energy Applications: Synthesis, Characteristics, and Functionality

In recent years, graphene-type materials originating from metal–organic frameworks (MOFs) or integrated with MOFs have exhibited notable performances across various applications. However, a comprehensive understanding of these complex materials and their functionalities remains obscure. While some studies have reviewed graphene/MOF composites from different perspectives, due to their structural–functional intricacies, it is crucial to conduct more in-depth reviews focusing on specific sets of graphene/MOF composites designed for particular applications. In this review, we thoroughly investigate the syntheses, characteristics, and performances of N-G/MOF(ZIF-8)-based/derived materials employed in electrochemical energy conversion and storage systems. Special attention is given to realizing their fundamental functionalities. The discussions are divided into three segments based on the application of N-G/ZIF-8-based/derived materials as electrode materials for batteries, electrodes for electrochemical capacitors, and electrocatalysts. As electrodes for batteries, N-G/MOF(ZIF-8) materials can mitigate issues like an electrode volume expansion for Li-ion batteries and the ‘shuttle effect’ for Li-S batteries. As electrodes for electrochemical capacitors, these materials can considerably improve the ion transfer rate and electronic conductivity, thereby enhancing the specific capacitance while maintaining the structural stability. Also, it was observed that these materials could occasionally outperform standard platinum-based catalysts for the electrochemical oxygen reduction reaction (ORR). The reported electrochemical performances and structural parameters of these materials were carefully tabulated in uniform units and scales. Through a critical analysis of the present synthesis trends, characteristics, and functionalities of these materials, specific aspects were identified that required further exploration to fully utilize their inherent capabilities.

Electrochemistry↗
NASA NTRS2021

Microwave Photoelasticity: Exploiting Multiple Resonances to Measure Stress Changes within Yttria-Partially-Stabilized-Zirconia

The NASA Glenn Research Center is developing non-destructive-testing (NDT) methods to enable the measurement of stresses embedded in optically opaque materials using microwave radiation in a free-space quasi-optical system. This methodology tracks microwave resonances observed in reflected scattering parameters extracted from materials under load. In this paper, we report the successful measurement of the stress-optic-coefficient of bulk yttria-partially stabilized zirconia (YTZP) ceramic of C = 1.42 x 10-4 ± 6.65 x 10-6 (1/GPa), across W-Band (80-100 GHz), and determined that this result is independent of sample thickness. The primary goal of this research is to establish a methodology to quantify and assess the life expectancy of ceramic thermal and environmental barrier coating (TBCs/EBCs). Bulk YTZP samples can undergo multiple resonances within a contiguous measurement bandwidth, each corresponding to an integer multiple wave number ∝. This allows for the acquisition and analysis of multiple stress measurement points within a single sample. As an additional benefit, one can approximate the refractive index of YTZP across a wide bandwidth by observing multiple resonances produced by a set of samples with varying thicknesses. Using this approach, the refractive index of bulk YTZP was found to be n = 5.80 ± 0.043 across the 85-115 GHz frequency band.

Seth W. Waldstein↗
DOE OSTI2021

Improving Magnetic Materials for RCS Cavity Tuners

Within the Lab Directed R&D Program at Fermilab, and in partnership with National Magnetics, we have recently begun to study and attempt to improve the loss parameter in garnet material. This could be used for fast tuner applications such as in rapid cycling synchrotrons.

Madrak, Robyn Leigh↗
DOE OSTI2022

Mesoscale simulations of pressure-shear loading of granular tungsten carbide

Numerical simulations of pressure-shear loading of a granular material are performed using the shock physics code CTH. A simple mesoscale model for the granular material is used that consists of a randomly packed arrangement of solid circular or spherical grains of uniform size separated by vacuum. The grain material is described by a simple shock equation of state, elastic perfectly plastic strength model, and fracture model with baseline parameters for WC taken from previous mesoscale modeling work. Simulations using the baseline material parameters are performed at the same initial conditions of pressure-shear experiments on dry WC powders. Except for some localized flow regions appearing in simulations with an approximate treatment of sliding interfaces among grains, the samples respond elastically during shear, which is in contrast to experimental observations. By extending the simulations to higher shear wave amplitudes, macroscopic shear failure of the simulated samples is observed with the shear strength increasing with increasing stress confinement. The shear strength is also found to be strongly dependent on the grain interface treatment and on the fracture stress of the grains, though the variation in shear strength due to fracture stress decreases with increasing stress confinement. At partial compactions, the transverse velocity histories show strain-hardening behavior followed by formation of a shear interface that extends through the transverse dimensions of the sample. Near full compaction, no strain hardening is observed and, instead, the sample transitions sharply from an elastic response to formation of an internal shear interface. Agreement with experiment is shown to worsen with increasing confinement stress with simulations overpredicting the shear strengths measured in experiment. The source of the disagreement can be ultimately attributed to the Eulerian nature of the simulations, which do not treat contact and fracture realistically.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Spectral Characterization of Modern Spacecraft Materials

One of the observational parameters of interest in ground-based optical measurements is ascertaining material properties using broadband filter photometry and spectroscopy for orbiting targets. Broadband photometry can provide reflectance measurements that can aid in color-color indices and assess if objects can be classified into families or taxonomies. However, these reflectance properties can vary due to aspect angle, phase angle, and general degradation of the target’s exterior material. Spectral characterization can aid in material characterization utilizing known absorption bands and spectra signatures, but these signatures are affected by the same conditions described for remote observations. When utilizing ground-based measurements, it is well understood that material characterization is subject to variability due to space weathering and/or other external events (i.e., collision or explosion). The focus of this study is on space weathering effects on spacecraft materials in low Earth orbit. To better assess how materials are affected by the harsh space environment, specifically modern materials, a collection of materials was analyzed in both its pristine condition and after electron bombardment. This sample collection is part of an upcoming mission with the Materials International Space Station Experiment Flight Facility (MISSE-FF) that will be launched in 2022. These laboratory analyses on the samples will provide a ground truth to compare with the in-situ collected data. The data will also be stored in the NASA Johnson Space Center’s Spacecraft Materials Spectral Database that is available to U. S. citizens and maintained by the Orbital Debris Program Office. The following paper provides an overview of the materials investigated, laboratory and database overview, and spectral results for both pristine and post-electron exposed conditions. The spectral signature data highlights which materials are stable, or remain relatively unchanged, and which materials vary significantly due to exposure and material configuration (variations due to rotation of the sample on a flat surface). Initial results on changes in spectral directional reflectance of the materials as a function of incident illumination direction are also presented. This data also will benefit the space situational awareness community with spectral characterization of novel materials that can support their respective optical measurements focused on material identification.

Heather M Cowardin↗