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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Implementation of an extensible property modeling framework in ESPEI with applications to molar volume and elastic stiffness models

Property models are becoming more widely adopted by commercial Calphad databases, but they are not nearly as common in non-commercial or traditional academic Calphad databases. A primary driver is that user-friendly Calphad modeling tools that support property models are not widely available. Here we present new property modeling capabilities that have been implemented in ESPEI (the Extensible, Self-optimizing Phase Equilibrium Infrastructure). These capabilities include both generating property model parameters from data and improvements to the algorithmic selection of the most appropriate model from a series of candidates. Additionally, two illustrative examples are given that use ESPEI to fit different property models. First, we generate molar volume model parameters for Group IV, V, and VI refractory BCC alloys based on the model by Lu et al. (2005). Second, we demonstrate the extensibility of ESPEI’s property modeling capabilities by implementing a custom PyCalphad model for BCC elastic stiffness parameters to generate and compare parameters to the ones assessed by Marker et al. (2018) using the same data. Property models generated by ESPEI can be used in PyCalphad or further optimized with uncertainty quantification using ESPEI.

36 MATERIALS SCIENCE↗
NASA NTRS1993

An advanced test technique to quantify thermomechanical fatigue damage accumulation in composite materials

A mechanical test technique was developed to assist in quantifying the accumulation of damage in composite materials during thermomechanical fatigue (TMF) cycling. This was accomplished by incorporating definitive elastic mechanical property measurements into an ongoing load-controlled TMF test without disturbing the test specimen or significantly altering the test conditions. The technique allows two fundamental composite properties consisting of the isothermal elastic static moduli and the macroscopic coefficient of thermal expansion (CTE) to be measured and collected as functions of the TMF cycles. The specific implementation was incorporated into the commonly employed idealized in-phase and out-of-phase TMF cycles. However, the techniques discussed could be easily implemented into any form of load-controlled TMF mission cycle. By quantifying the degradations of these properties, tremendous insights are gained concerning the progression of macroscopic composite damage and often times the progression of damage within a given constituent. This information should also be useful for the characterization and essential for the verification of analytical damage modeling methodologies. Several examples utilizing this test technique are given for three different fiber lay-ups of titanium metal matrix composites.

Castelli, Michael G.↗
NASA NTRS2019

A Comparison of Different Modeling Strategies for Predicting Effective Properties of 3D Woven Composites

Three-dimensional (3D) woven composites are an attractive means of achieving superior mechanical performance in aerospace structures. Limited analysis capability currently exists to predict both effective elastic and strength properties for these complex composites. In this study, a comparison of three modeling strategies was performed to assess the ability of the different methods to predict the effective elastic properties of four distinct 3D orthogonal woven composites. Two finite element techniques (in-plane and triply-periodic boundary conditions) and one method of cells technique, the Multiscale Generalized Method of Cells, were considered.

Ricks, Trenton M.↗
NASA NTRS1981

Deformation and failure mechanisms of graphite/epoxy composites under static loading

The mechanisms of deformation and failure of graphite epoxy composites under static loading were clarified. The influence of moisture and temperature upon these mechanisms were also investigated. Because the longitudinal tensile properties are the most critical to the performance of the composite, these properties were investigated in detail. Both ultimate and elastic mechanical properties were investigated, but the study of mechanisms emphasized those leading to failure of the composite. The graphite epoxy composite selected for study was the system being used in several NASA sponsored flight test programs.

Clements, L. L.↗
NASA NTRS2002

Three-Dimensional Stress Fields and Slip Systems for Single Crystal Superalloy Notched Specimens

Single crystal superalloys have become increasingly popular for turbine blade and vane applications due to their high strength, and creep and fatigue resistance at elevated temperatures. The crystallographic orientation of a single crystal material greatly affects its material properties, including elastic modulus, shear modulus, and ductility. These directional properties, along with the type of loading and temperature, dictate an anisotropic response in the yield strength, creep resistance, creep rupture ductility, fatigue resistance, etc. A significant amount of research has been conducted to determine the material properties in the <001> orientation, yet the material properties deviating from the <001> orientation have not been assessed for all cases. Based on the desired application and design criteria, a crystal orientation is selected to yield the maximum properties. Currently, single crystal manufacturing is able to control the primary crystallographic orientation within 15 of the target orientation, which is an acceptable deviation to meet both performance and cost guidelines; the secondary orientation is rarely specified. A common experiment is the standard load-controlled tensile test, in which specimens with different orientations can be loaded to observe the material response. The deformation behavior of single-crystal materials under tension and compression is known to be a function of not only material orientation, but also of varying microdeformation (i.e. dislocation) mechanisms. The underlying dislocation motion causes deformation via slip, and affects the activation of specific slip systems based on load and orientation. The slip can be analyzed by observing the visible traces left on the surface of the specimen from the slip activity within the single crystal material. The goal of this thesis was to predict the slip systems activated in three-dimensional stress fields of a notched tensile specimen, as a function of crystal orientation, using finite element analysis without addressing microstructural deformation mechanisms that govern their activation. Out of three orientations tested, the specimen with a [110] load orientation and a [001] growth direction had the lowest maximum resolved shear stress; this specimen orientation appears to be the best design candidate for a tensile application.

Magnan, Shannon M.↗
DOE OSTI2025

Sound Velocities in Vanadium Reveal Complex Elastic Behavior at High Pressures

Compressional (VP) and shear (VS) wave velocities of polycrystalline vanadium were measured simultaneously up to 11.5 GPa at room temperature using ultrasonic interferometry in a multi-anvil press. Complex softening behavior in VS and resulting shear moduli are discovered, possibly revealing a precursor to the reported phase transition within 30–60 GPa. The current data enables a comprehensive assessment of the elastic and mechanical properties of vanadium at high pressures, including bulk and shear moduli, Young’s modulus, Poisson’s ratio, and Pugh’s ratio. Through fitting to the 3rd-order finite strain equations, the elastic moduli and their pressure derivatives were determined to be K S0 = 151 (2) GPa, G 0 = 46.9 (8) GPa, K$^{’}_{S0}$ = 3.47 (5), and G$^{’}_{0}$ = 0.62 (1). These experimental results allow us to compare with and benchmark the existing Steinberg–Guinan models for extrapolations to extreme pressure and temperature conditions.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Enhancements, Verification, and VMS Integration of VTOL Concept Vehicle Simulation Models

Advanced Rotorcraft Technology (ART) and the NASA Ames Aeromechanics branch have jointly developed FLIGHTLAB simulation models for Advanced Air Mobility (AAM) VTOL concept vehicles. The overarching purpose of the simulation model development is to establish a set of well defined reference vehicles for FLIGHTLAB users and the rotorcraft community. The ongoing research effort and enhancement of these AAM simulation models to fulfill the role of quality reference vehicles is this paper’s focus. The content of this paper expands on the established characteristics of these AAM models in three primary areas. First, enhancement of the lift+cruise and tiltwing models with elastic airframe properties is discussed. The process of setting up the elastic airframe model in FLIGHTLAB, as well as the impacts on flight characteristics are explained. The introduction of the elastic airframe modeling allows these models to be used in flight dynamics, loads, and vibration analysis of the configuration designs. Next, linear model generation from the enhanced simulation model is covered. Confirming the validity of the linearized models is of importance, as these linear models are utilized for flight control design and tuning for these experimental configurations. For the final focus, the progress towards implementation of these models into the NASA Ames Vertical Motion Simulator (VMS) is described. This task seeks to demonstrate the procedures of integrating a FLIGHTLAB flight simulation in the VMS environment, test fully integrated simulation with communication between flight dynamics, control, and propulsion models, and explore the essential aspects of simulation model integration in a full flight simulator environment. This includes I/O definition, initialization, trim, flying, etc. By expanding the capabilities of the AAM simulation models, they continue to develop as valuable and approachable modeling references.

VMS↗
DOE OSTI2025

Development of an interatomic potential for the Ta–Li system

A new interatomic potential for the Ta–Li system is introduced to facilitate the study of phase stability, mechanical properties and non-equilibrium dynamics after Li implantation in Ta. Here, this potential is based on a generalization of the embedded atom method (GEAM) and includes contributions from embedding energy, explicit two- and three-body interactions, and nonlocal many-body interaction terms. The parameters of the potential are optimized using energies and atomic forces for a wide range of configurations obtained from ab initio density functional theory (DFT) calculations. The potential is rigorously validated across a range of physical properties, including elastic constants, equations of state, phonon dispersion curves, point defect properties, and melting temperatures for different compositions. Although our potential is trained on a small dataset, its accuracy is comparable to that of available machine learning potentials for Li and Ta. Our simulations show that at temperatures below 500 K, Li atoms in Ta–Li alloys form clusters separated by Ta-rich domains, and we find no evidence of ordered phase formation. For Li concentrations below a few percent, Li atoms preferentially segregate to surfaces and grain boundaries. However, in alloys containing more than ~10% Li, the accumulation of Li in symmetric-tilt grain boundaries can lead to one of the following effects: formation of amorphous-like regions, changes in grain boundary structural units, or lateral movement of the grain boundary.

GEAM potential↗
DOE OSTI2024

Probing iron in Earth’s core with molecular-spin dynamics

Dynamic compression of iron to Earth-core conditions is one of the few ways to gather important elastic and transport properties needed to uncover key mechanisms surrounding the geodynamo effect. Herein, a machine-learned ab initio derived molecular-spin dynamics (MSD) methodology with explicit treatment for longitudinal spin-fluctuations is utilized to probe the dynamic phase-diagram of iron. This framework uniquely enables an accurate resolution of the phase-transition kinetics and Earth-core elastic properties, as highlighted by compressional wave velocity and adiabatic bulk moduli measurements. In addition, a unique coupling of MSD with time-dependent density functional theory enables gauging electronic transport properties, critically important for resolving geodynamo dynamics.

58 GEOSCIENCES↗
DOE OSTI2025

Computational Design of Cost-Effective High-Entropy Thermal/Environmental Barrier Coatings

Developing cost-effective thermal/environmental barrier coatings (TEBC) requires balance among various properties including low thermal conductivity, matching coefficient of thermal expansion (CTE), high thermal stability, high fracture toughness, and high recession resistance while being affordable. Low oxygen diffusivity is desirable as it can slow down oxygen transport to reach the underlying bond coating and hence delay oxidation of the bond coating. This project aims to design low-cost high-performance TEBC based on high entropy rare earth disilicates to protect SiC-based ceramic matrix composites from chemical and thermal attack for better performance of components in the hot section of gas turbine engines. To accelerate the TEBC design, we utilize first-principles density functional theory to predict key properties including phase stability, CTE, lattice thermal conductivity, temperature-dependent elastic constants, and oxygen diffusivity. Alloying elements including Yb, Y, Er, Eu, Gd, Lu, La, and Ce are considered, and modeling prediction are compared with available experimental results.

coefficient of thermal expansion↗
NASA NTRSDate not supplied

Computational Investigation of Oxidative Etch Pitting in FiberForm and Its Impact on Material Properties

Oxidation-driven carbon erosion does not occur uniformly but rather through the development of localized etch pits at active surface sites. These active sites form due to atomic defects on the carbon surface, making them significantly more reactive than the surrounding, non-defective areas. As a result, these sites are the first to react during ablation, leading to their removal. This process creates new defects in neighboring atoms, increasing their reactivity and causing localized carbon removal around these active sites. In this way, the highly reactive defective areas serve as nucleation points for the formation and growth of etch pits, which can have adverse effects on structural integrity of FiberForm. To better understand how these etch pits impact the material properties of carbon fiber microstructures, we have developed a new capability within the direct simulation Monte Carlo (DSMC) framework to capture the etch pit formation process. This capability, integrated into the DSMC code SPARTA (Stochastic Parallel Rarefied-gas Time-accurate Analyzer), models material removal in the presence of active sites, leading to the formation of etch pits. The current work focuses on studying the effects of these etch pits on the material properties of FiberForm, a widely used base material in thermal protection systems (TPS). The microstructure of virgin FiberForm, obtained via X-ray microtomography, is imported into SPARTA to generate the ablated geometries with etch pits. These modified microstructures are then analyzed using the Porous Microstructure Analysis (PuMA) software to compute various material properties, including elasticity, thermal conductivity, and permeability. We investigate the variation of these properties due to the complex surface topology changes caused by etch pit formation. Additionally, we compare the effects of pitting with the conventional model of shrinking fibers, traditionally used to simulate the ablation of carbon structures. Significant differences emerge between the two approaches. Consequently, this physically realistic model of material removal through etch pit formation offers improved accuracy in predicting the degradation of carbon-based TPS during oxidation. It also provides insights into other mechanisms, such as spallation, where chunks of material are removed into the flow due to etch pit growth. Ultimately, this model enhances our understanding of failure modes in these materials during ablation.

PuMA↗
NASA NTRS1982

Sensitivity analysis results of the effects of various parameters on composite design

Sensitivity analysis results are presented to assess the effects of a multitude of important parameters on fiber composite design and structural response. These results were obtained by using optimum design procedures in conjunction with sensitivity analyses. Sensitivity analyses were performed to assess the effects on composite optimum design and structural response of parameters such fiber transverse and shear properties, in situ matrix elastic and strength properties, correlation coefficients used in composite micromechanics and in combined strength predictions, processing variables, and perturbations of loading conditions. The results show that matrix properties, fiber volume ratio and small perturbations of the loading conditions have significant effects on certain composite structural responses. The remaining parameters have negligible effect.

Chamis, C. C.↗
NASA NTRS1985

Source phase shift - A new phenomenon in wave propagation due to anelasticity

The free oscillations of an anelastic earth model due to earthquakes were calculated directly by means of the correspondence principle from wave propagation theory. The formulation made it possible to find the source phase which is not predictable using first order perturbation theory. The predicted source phase was largest for toroidal modes with source components proportional to the radial strain scalar instead of the radial displacement scalar. The source phase increased in relation to the overtone number. In addition, large relative differences were found in the excitation modulus and the phase when the elastic excitation was small. The effect was sufficient to bias estimates of source properties and elastic structure.

Buland, R.↗
DOE OSTI2024

Alkyl-Substituted Polycaprolactone Poly(urethane-urea)s as Mechanically Competitive and Chemically Recyclable Materials

We report the mechanical performance and chemical recycling advantages of implementing alkyl-substituted poly(ε-caprolactones) (PCLs) as soft segments in thermoplastic poly(urethane-urea) (TPUU) materials. Poly(4-methylcaprolactone) (P4MCL) and poly(4-propylcaprolactone) (P4PrCL) were prepared, reacted with isophorone diisocyanate, and chain-extended with water to form TPUUs. The resulting materials’ tensile properties were similar or superior to a commercially available polyester thermoplastic poly(urethane) and had superior elastic recovery properties compared to a PCL analogue due to the noncrystalline nature of P4MCL and P4PrCL. Additionally, monomers were recovered from the TPUU materials in high yields via ring-closing depolymerization using a reactive distillation approach at an elevated temperature and a reduced pressure (240–260 °C, 25–140 mTorr) with zinc chloride (ZnCl 2 ) as the catalyst. The thermodynamics of polymerization were estimated using Van’t Hoff analyses for 4MCL and 4PrCL; these results indicated that the propyl group in 4PrCL results in a lower practical ceiling temperature (T c ) for P4PrCL.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Stresses and deformations in angle-ply composite tubes

The stress and deformations in angle-ply composite tubes subjected to axisymmetric thermal loading were investigated both experimentally and analytically. For the theoretical portion a generalized plane strain elasticity analysis was developed. The analysis included mechanical and thermal loading, and temperature-dependent material properties. The elasticity analysis was also used to study the effect of including a thin metallic coating on a graphite-epoxy tube. The stresses in the coatings were found to be quite high, exceeding the yield stress of aluminum. An important finding in the analytical studies was the fact that even tubes with a balanced-symmetric lamination sequence exhibit shear deformation, or twist. For the experimental portion an apparatus was developed to measure torsional and axial response in the temperature range of 140 to 360 K. Eighteen specimens were tested, combining three material systems, eight lamination sequences, and three off-axis ply orientation angles. For the twist response, agreement between analysis and experiment was found to be good. The axial response of the tubes tested was found to be greater than predicted by a factor of three. As a result, it is recommended that the thermally induced axial deformations be investigated, both experimentally and analytically.

Rousseau, Carl Q.↗
NASA NTRS1984

Influence of extended exposure in space on mechanical properties of high-toughness graphite-epoxy composite material (A0019)

Graphite-epoxy composites are promising candidates for structural use in space vehicles because of their high strength and elastic modulus properties. The problem of low fracture toughness was solved by use of recently developed techniques of intermittent interlaminar bonding. Before this material can be adapted for space use, however, confidence must be gained that its mechanical properties are not degraded by exposure to the space environment. The objective of this experiment is to test the effect of extended exposure to a space environment on the mechanical properties of a specially toughened T300/5208 graphite-epoxy composite material. Specimens made by recently developed techniques of intermittent interlaminar bonding will be exposed and afterward tested for fracture toughness, tensile strength, and elastic modulus. The approach of this experiment is to provide a frame on which the specimens can be mounted with their flat sides normal to the Long Duration Exposure Facility radius, each specimen with an unobstructed exposure of about 2 pi sr. The specimens will be mounted so that they neither fracture from high stress nor fail from excessive heating during launch and return.

Felbeck, D. K.↗
NASA NTRS1991

Oxynitride glass fibers

Research at the Army Materials Technology Laboratory (AMTL) and elsewhere has shown that many glass properties including elastic modulus, hardness, and corrosion resistance are improved markedly by the substitution of nitrogen for oxygen in the glass structure. Oxynitride glasses, therefore, offer exciting opportunities for making high modulus, high strength fibers. Processes for making oxynitride glasses and fibers of glass compositions similar to commercial oxide glasses, but with considerable enhanced properties, are discussed. We have made glasses with elastic moduli as high as 140 GPa and fibers with moduli of 120 GPa and tensile strengths up to 2900 MPa. AMTL holds a U.S. patent on oxynitride glass fibers, and this presentation discusses a unique process for drawing small diameter oxynitride glass fibers at high drawing rates. Fibers are drawn through a nozzle from molten glass in a molybdenum crucible at 1550 C. The crucible is situated in a furnace chamber in flowing nitrogen, and the fiber is wound in air outside of the chamber, making the process straightforward and commercially feasible. Strengths were considerably improved by improving glass quality to minimize internal defects. Though the fiber strengths were comparable with oxide fibers, work is currently in progress to further improve the elastic modulus and strength of fibers. The high elastic modulus of oxynitride glasses indicate their potential for making fibers with tensile strengths surpassing any oxide glass fibers, and we hope to realize that potential in the near future.

Patel, Parimal J.↗