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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 109 records · Page 6

All sources NASA NTRS DOE OSTI

NASA NTRS1990

Thermomechanical properties of polymeric materials and related stresses

The thermomechanical analysis (TMA) and dynamic mechanical analysis characterizations of a polymeric material yield useful data relating to the thermomechanical stresses of eight widely used polymeric materials. The materials encompass Lexan, Plexiglass, Epon, Conap, Uralane, Solithane, and Humiseal. A combined profile of the coefficient of thermal expansion (CTE) and the modulus change over a wide temperature range obtained by these analytical methods indicates the drastic effects of glass transition on both the CTE and the modulus of a polymer. TMA can also detect secondary transitions, and provides a convenient means for the study of a polymer's toughness.

Lee, Sheng Yen↗

NASA NTRS1986

Multidisciplinary analysis of actively controlled large flexible spacecraft

The control of Flexible Structures (COFS) program has supported the development of an analysis capability at the Langley Research Center called the Integrated Multidisciplinary Analysis Tool (IMAT) which provides an efficient data storage and transfer capability among commercial computer codes to aid in the dynamic analysis of actively controlled structures. IMAT is a system of computer programs which transfers Computer-Aided-Design (CAD) configurations, structural finite element models, material property and stress information, structural and rigid-body dynamic model information, and linear system matrices for control law formulation among various commercial applications programs through a common database. Although general in its formulation, IMAT was developed specifically to aid in the evaluation of the structures. A description of the IMAT system and results of an application of the system are given.

Cooper, Paul A.↗

DOE OSTI2026

Complex Dynamics in Argyrodite Solid-State Ion Conductors

Argyrodites are a compositionally diverse family of materials that exhibit remarkable ion transport properties. While the average crystal structures of argyrodites have been extensively studied, ion transport in these materials is governed by a confluence of dynamic processes spanning the cation, anion, and polyanionic sublattices. This Perspective synthesizes recent advances in understanding the role of dynamics in structural behavior and ion transport properties. We examine the compositional and structural motifs that govern order−disorder transitions within the argyrodite family and further explore how ion hopping is facilitated by lattice dynamics, from long-range phonons to local rotational dynamics of polyanionic species. Through the lens of dynamics spanning multiple time and length scales, we establish guiding principles that govern transport phenomena and highlight avenues of future study for the argyrodite family of ion conductors.

36 MATERIALS SCIENCE↗

DOE OSTI2025

In-Silico Design of Next Generation Cellulose-Derived Packaging Materials (CRADA Final Report)

Developing sustainable solutions for single-use packaging is an important objective to combat the environmental crisis of plastics pollution. Most embodiments of cellulose-based packaging materials, including CellophaneTM, are completely biodegradable in both terrestrial and marine environments. However, petroleum-derived alternatives offer some performance advantages for metrics such as moisture barriers and mechanical properties. This project leverages molecular dynamics simulation to investigate how molecular modifications to cellulose-based polymer assemblies impact their material properties. An important performance criterion for the modified materials was to retain biodegradability; thus, modifications by naturally occurring, biodegradable additives were the focus of this study. Specifically, we developed models with xylan and lignin of varying monomeric compositions into the cellulose matrix. The mechanical properties were investigated by performing stress-strain simulations, and the water barrier and hydrophobicity were investigated by simulating the water contact angle. Our findings indicate that the incorporation of xylan into the cellulose matrix tends to increase the mechanical properties with an optimal loading of ~27 wt%. We also predict that orienting the nanoscale directionality of the xylan chains such that they are perpendicular to the cellulose fibrils will dramatically increase mechanical strength. In contrast, the incorporation of lignin tends to weaken the composite at all loadings investigated. Simulations of water contact angle predicted that coating polymers on the surface of the cellulose assembly creates a more hydrophobic surface than incorporating them throughout the matrix. Of the coatings investigated, lignin resulted in the most hydrophobic surface, followed by pectin and keratin, which both imparted modest increases in hydrophobicity. Future experimental work done by Futamura will focus on designing material prototypes to capitalize on the predictions of performance enhancement obtained from molecular modeling. While substantial progress was made by the simulations performed in this project, there still exists a vast parameter space that we were unable to investigate, including branching, functional group decoration, and degree of polymerization of polymer additives. However, the methods developed in this initial investigation will facilitate more rapid evaluation of the impact of molecular characteristics on the performance of biopolymer composite materials and thereby accelerate future materials discovery efforts in this area.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Control of solvent adsorption in porous liquids through solvent-solvent interactions

Type 3 Porous Liquids (PLs) are a new class of materials that offer transformative potential for gas capture and utilization. These PLs are comprised of a bulky solvent with a suspended empty nanoporous material that enables selective and high-capacity capture from dilute and complex gas steams. The relationship between the nanoporous material, the structure of the solvent molecules, and the time dependence of solvent adsorption into the nanoporous material governs long term adsorption properties. Herein, molecular dynamics (MD) calculations evaluated the solvent dynamics of nine neat solvents with a broad range of chemical identities and experimental density measurements probed the time-dependent adsorption of these solvents into the ZIF-8 metal-organic frameworks (MOFs) to form PL dispersions over three weeks. Two of the nine dispersion, using glyceryl triacetate and 2’-hydroxyacetopheneone as solvents, presented sufficiently low solvent infiltration—characterized by solvent adsorption less than 40% of the ZIF-8 pore volume—to be viable as PLs. The experimental solvent adsorption data for ZIF-8 dispersed in the four aromatic solvents (acetophenone, methylbenzoate, 2-isopropylphenol, and 2’-hydroxyacetophenone) was fit to a kinetic model to quantify rate of solvent adsorption into ZIF-8. The rates of adsorption of these four similar-sized solvents demonstrated that solvent adsorption is slowed and limited by solvent clustering dynamics that are, in turn, driven by intermolecular hydrogen bonding. Ultimately, experimental solvent sorption measurements indicated that glyceryl triacetate and 2’-hydroxyacetophenone with ZIF-8 formed PLs with the most stable porosity and the greatest potential for gas capture. In conclusion, the combined experimental-computational materials exploration framework used here reveals a novel relationship between molecular scale solvent dynamics and macroscale solvent adsorption kinetics critical for the discovery and rapid evaluation of Type 3 PL compositions.

Hydrogen bonding↗

NASA NTRS1988

Structural tailoring of high-speed turbine blades (SSME/STAEBL)

Space shuttle main engine (SSME) blades are subject to severe thermal, pressure, and forced vibration environments. Structural optimization provides an automated alternative to time consuming iterations. Any number of analyses, design variables, and constraints can be incorporated in a structural optimization computer code. This idea was applied to develop the code SSME/STAEBL, which is a stand alone code suitable for automated design of SSME turbopump blades. Additions and modifications of STAEBL included in SSME/STAEBL include the following: (1) thermal stress analysis, (2) gas dynamic (pressure) loads, (3) temperature-dependent material and thermal properties, (4) forced vibrations, (5) tip displacement constraints, (6) single crystal material analysis, (7) blade cross-section stacking offsets, and (8) direct time integration algorithm for transient dynamic response.

Rubinstein, Robert↗

NASA NTRS2002

Thermal Protection System Evaluation Using Arc-jet Flows: Flight Simulation or Research Tool?

The arc-jet has been used to evaluate thermal protection systems (TPS) and materials for the past forty years. Systems that have been studied in this environmerd include ablators, active, and passive TPS concepts designed for vehicles entering planetary and Earth atmospheres. The question of whether arc-jet flow can simulate a flight environment or is it a research tool that provides an aero-thermodynamic heating environment to obtain critical material properties will be addressed. Stagnation point tests in arc-jets are commonly used to obtain material properties such as mass loss rates, thermal chemical stability data, optical properties, and surface catalytic efficiency. These properties are required in computational fluid dynamic codes to accurately predict the performance of a TPS during flight. Special facilities have been developed at NASA Ames Research Center to approximate the flow environment over the mid-fuselage and body flap regions of proposed space-planes type vehicles. This paper compares flow environments generated in flight over a vehicle with those created over an arc-jet test articles in terms of scale, chemistry, and fluid dynamic properties. Flight experiments are essential in order to validate the material properties obtained from arc-jet tests and used to predict flight performance of any TPS being considered for use on a vehicle entering the Earth atmosphere at hypersonic speed.

Stewart, David A.↗

DOE OSTI2024

3D Printing ofThermally Responsive Shape Memory LiquidCrystalline Epoxy Networks

Abstract A two-component liquid crystalline epoxy network (LCEN) with shape memory behavior was developed and evaluated as a candidate material for 3D printing. The cure kinetics of the uncured material and the shape memory properties of the cured LCEN were investigated by using parallel plate rheology and dynamic mechanical analysis, respectively. A commercially available fumed silica additive was introduced to the neat, uncured material to improve the rheological properties for 3D printing. The addition of fumed silica was found to increase the yield stress, shear-thinning behavior, and toughness of the uncured epoxy ink. Polarized light microscopy, differential scanning calorimetry, and wide-angle X-ray scattering measurements between the neat and additive-modified LCEN suggested a reduction in liquid crystalline alignment in the modified LCEN, owing to interactions between crystalline domains and fumed silica, which in turn influenced the mechanical behavior. Overall, the additive was found to be successful in preserving the shape memory properties of LCEN while improving its printability.

Chemistry↗

DOE OSTI2024

INSPIRED: Inelastic neutron scattering prediction for instantaneous results and experimental design

Inelastic neutron scattering (INS) has unique advantages in probing how atoms vibrate and how the vibrations propagate and interact. Such dynamic information is crucial in understanding various material properties, from heat capacity, thermal conductivity, phase transitions, and chemical reactions to more exotic quantum behavior. The analysis and interpretation of the INS spectra often start from a model structure of the sample, followed by a series of calculations to obtain the simulated spectra to compare with experiments. The conventional way to perform such calculations usually requires significant time, computing resources, and specialized expertise. Here, we present a new program named INSPIRED (Inelastic Neutron Scattering Prediction for Instantaneous Results and Experimental Design), which enables users to perform rapid INS simulations in several different ways on their personal computers in just a few clicks, with the crystal structure as the only input file. Specifically, the users can choose a pre-trained symmetry-aware neural network (coupled with an autoencoder) to predict the phonon density of states (DOS), 1D S(E) and 2D S(|Q|,E) spectra for any given structure. One can also choose an existing density functional theory (DFT) calculation from a database (containing over 12,000 crystals), and quickly obtain the simulated INS spectra for single crystals and powders. It is also possible to use pre-trained universal machine learning force fields to relax a given crystal structure, calculate the phonon dispersion and DOS, and, subsequently, the INS spectra. All these functions are implemented with a PyQt graphic user interface. Finally, we expect these new tools will benefit broad user communities and significantly improve the efficiency of experiment design, execution, and data analysis for INS.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1988

Pultrusion Process Development for Long Space Boom Model

Long flexible-boom models were required to develop ground-vibration test methods for very-low-frequency space structures with applications to the proposed Space Station. Pultruded quasi-isotropic composite beams were selected as an option over extruded aluminum alloy structures because of the lower cost potential, the higher specific strength, the flexural properties, and the dynamic similarity considerations. The reinforcement material that was used was biaxial (0 deg/90 deg) fiberglass roving held in place with knitted polyester yarn such that equal fiber volume in 0 deg and 90 deg orientations provided nearly equal strength in both longitudinal and transverse directions. An isophthalic polyester resin system was used as the matrix. Continuous lengths up to 270 ft were easily pultruded with biaxial fabric. Tracking problems were encountered with similar unidirectional fabrics. Analyses of processing problems were conducted to determine causes for delamination, scaling, and sloughing. Ultrasonic C-scanning and scanning electron microscope examinations were conducted as well as mechanical testing to failure. Test results indicate that pultrusion processes can be used to produce quasi-isotropic composite structures.

Wilson, Maywood L.↗

NASA NTRS2016

Vibroacoustic Characterization of Corrugated-Core and Honeycomb-Core Sandwich Panels

The vibroacoustic characteristics of two candidate launch vehicle fairing structures, corrugated- core and honeycomb-core sandwich designs, were studied. The study of these structures has been motivated by recent risk reduction efforts focused on mitigating high noise levels within the payload bays of large launch vehicles during launch. The corrugated-core sandwich concept is of particular interest as a dual purpose structure due to its ability to harbor resonant noise control systems without appreciably adding mass or taking up additional volume. Specifically, modal information, wavelength dispersion, and damping were determined from a series of vibrometer measurements and subsequent analysis procedures carried out on two test panels. Numerical and analytical modeling techniques were also used to assess assumed material properties and to further illuminate underlying structural dynamic aspects. Results from the tests and analyses described herein may serve as a reference for additional vibroacoustic studies involving these or similar structures.

Allen, Albert↗

DOE OSTI2026

Systematic analysis of melt pool dynamics in laser processing of mixed powder feedstocks

Functionally graded materials (FGMs) fabricated via additive manufacturing of blended powders offer the potential to spatially tailor properties for new technologies, such as fusion first-wall systems, turbine blades, and spacecraft. However, processing these materials is difficult due to the multiplicity of processing parameters to optimize, all of which must be changed as substrate material, powder feedstock compositions, and melt pool dynamics evolve. Here, this work systematically evaluates the qualitative and quantitative effects of these variables on the melt pool size, shape, composition, and particle distribution in an exemplar Ti-Ta system, and connects the experimental results to Marangoni flow behavior and phenomena observed in other systems. Increasing laser power linearly increases melt pool size and layer thickness, driving engineering considerations such as part/geometrical tolerances. Decreasing laser velocity changes the melt pool shape from lenticular to convex and reduces chemical homogeneity due to extreme thermal and compositional gradients between the melt pool center and boundaries. Thermophysical property differences between the powder feedstock and substrate material, as well as the directionality of the gradient, affect dilution and melt pool dynamics, which in turn affect the melt pool boundary characteristics, shape, and uniformity. Mixed powder feedstocks of intermediate compositions do not behave according to linear interpolations between single-material endpoints, instead building taller and wider melt pools. As such, it is recommended to quantify process maps for at least one intermediate composition in the FGM or multi-material system of interest to ensure optimized processing parameters, predictable melt pool sizes and shapes, and compositional and spatial precision.

Dissimilar↗

NASA NTRS2023

Thermomechanical Property Prediction of Amorphous and Crystal PEKK via Molecular Dynamics

Traditionally, advanced aerospace composites have been manufactured using thermoset resins. However, recently, thermoplastics have been investigated for use in the manufacturing of composite materials due to their unique manufacturing characteristics. Thermoplastic resins can be reshaped and formed, along with the added benefit of being recyclable, which thermoset resin cannot. Thermoplastic materials undergo a crystallization process during manufacturing which affects the percent crystallinity of the material. The crystallization needs to be understood better to maximize the potential of thermoplastic resins. PEKK is a thermoplastic material with good chemical, thermal, and mechanical loading resistance. PEKK is also a material NASA is interested in for developing new bonded joint technology. The crystalline microstructure of PEKK is at the micrometer length scale, and it is of interest to model the effects of the crystallinity structure on PEKK’s bulk properties. Molecular dynamics (MD) is a simulation tool that allows for property-structure relationships between atomistic structure and nanometer-length portions of a material. This makes MD a useful tool for developing the structure-property relationship of PEKK. However, the micrometer length scale of PEKK’s crystal structure is too large for MD. Thus, a hybrid approach to modeling PEKK’s microstructure is proposed in this work where MD models are built of both the amorphous and crystalline phases of PEKK. The engineering material properties can be obtained using MD at the nanometer length scale. A micromechanics approach can then generate the micrometer length scale of the crystallinity and the effective properties can be homogenized. The objective of this paper is to show the MD model workflow and the MD-predicted properties of PEKK. The properties can then be homogenized with different crystalline percentages to build design graphs that can be used to tailor PEKK for specific composite applications.

poly ether ketone ketone↗

NASA NTRS1971

The NASTRAN computer program for structural analysis.

Discussion of a large NASA-sponsored digital computer program for static and dynamic analysis of structures with linear or nonlinear material properties. The program fits to perform buckling analysis, vibration mode analysis of conservative or damped systems, frequency response analysis, and transient response analysis on the IBM 360, UNIVAC 1108, and CDC 6600 computers. It also provides automatic generation of several types of loads such as gravity loads and thermal strain loads, plots of deformed and nondeformed structures, and the choice of alternate analysis methods such as direct or modal formulations of dynamic problems. The program is intended primarily for large problems involving hundreds of thousands of degrees of freedom. A flexible Executive System is provided to facilitate the addition of new functional capabilities to the program.

Macneal, R. H.↗

NASA NTRS1993

Exact element modal analysis of beam/oscillator systems

Exact modal analysis of a beam/many-oscillator system is presented. Each oscillator consists of a discrete mass having rotational inertia, and two locally-dependent springs: one being rotational and the other, translational. A constant longitudinal force is applied to the mass, and its effect is coupled with the dynamic modes. The beam's distributed mass and other material properties, and its geometric properties, do not vary within spans bounded by the oscillators, but may vary from span to span. The classical separation-of-variables technique is used to obtain a dosedform description of the dynamic matrix, and the modal frequencies are determined as the zeros of this determinant.

Broome, Taft H., Jr.↗

NASA NTRS2009

The Effect of Water on the Work of Adhesion at Epoxy Interfaces by Molecular Dynamics Simulation

Molecular dynamics simulation can be used to explore the detailed effects of chemistry on properties of materials. In this paper, two different epoxies found in aerospace resins are modeled using molecular dynamics. The first material, an amine-cured tetrafunctional epoxy, represents a composite matrix resin, while the second represents a 177 C-cured adhesive. Surface energies are derived for both epoxies and the work of adhesion values calculated for the epoxy/epoxy interfaces agree with experiment. Adding water -- to simulate the effect of moisture exposure -- reduced the work of adhesion in one case, and increased it in the other. To explore the difference, the various energy terms that make up the net work of adhesion were compared and the location of the added water was examined.

Hinkley, J.A.↗

DOE OSTI2024

Exciton Dynamics in Layered Halide Perovskite Light‐Emitting Diodes

Abstract Layered halide perovskites have garnered significant interest due to their exceptional optoelectronic properties and great promises in light‐emitting applications. Achieving high‐performance perovskite light‐emitting diodes (PeLEDs) requires a deep understanding of exciton dynamics in these materials. This review begins with a fundamental overview of the structural and photophysical properties of layered halide perovskites, then delves into the importance of dimensionality control and cascade energy transfer in quasi‐2D PeLEDs. In the second half of the review, more complex exciton dynamics, such as multiexciton processes and triplet exciton dynamics, from the perspective of LEDs are explored. Through this comprehensive review, an in‐depth understanding of the critical aspects of exciton dynamics in layered halide perovskites and their impacts on future research and technological advancements for layered halide PeLEDs is provided.

Baek, Sung‐Doo↗

DOE OSTI2025

In situ atomic-resolution imaging of water vapor–driven multistep oxidation dynamics in strontium cobaltite

Understanding how water vapor interacts with transition metal oxides (TMOs) is critical for tailoring material properties to improve performance and enable new technologies. Despite extensive research efforts, atomic-scale mechanisms underpinning dynamic reactions and reaction-induced phase transitions remain elusive. Here, we use in situ environmental transmission electron microscopy to investigate how water vapor oxidizes vacancy-ordered SrCoO 2.5 at moderately elevated temperatures, demonstrating that water molecules can initiate oxidation more effectively than oxygen under comparable conditions. We discover a distinct “staging” behavior during the oxidation process: A fully ordered intermediate phase, SrCoO 2.75 , forms before transitioning into a near-perovskite SrCoO 3−δ . In addition, antiphase boundaries, originating at step terraces of SrTiO 3 , alleviate strain by creating reversible nanoscale “gaps” during lattice contraction under oxidation, providing a pathway for preserving structural integrity throughout redox cycling. This work provides atomic-level guidance for engineering TMOs by leveraging water vapor to control their redox behavior and tailor functional properties.

Science & Technology - Other Topics↗