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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

A Workflow to Rapidly Interrogate Multiscale Model Simulation Results Across Multiple Length Scales

Many tools can be used to visualize field and state variables for a single scale analysis so that the influence of relevant mechanisms can be evaluated. Finite element software is often utilized to simulate a unit cell of a material and visualize results at that scale. Material properties can be homogenized from individual constituents and local deformation, damage, and failure mechanisms can be evaluated within the unit cell due to globally applied boundary conditions. Such solutions can produce satisfactory results if a user is only interested in analyzing a single scale. But materials in general contain features across multiple length scales, and assumptions must be made when attempting to account for lower length scale phenomena within a higher length scale model. Multiscale modeling is an attractive means to model materials because detailed material responses can be tracked across multiple disparate length scales while reducing the amount of required assumptions. However, as the complexity of these models increases, a large amount of data can be produced, and data traceability can become increasingly more difficult. Field and state variables, which are naturally dependent on spatial position, may themselves be calculated from one or more lower length scale unit cell models each with their own appropriate field and state variables. The NASA Multiscale Analysis Tool (NASMAT) is one software that can be used to perform a multiscale analysis efficiently and output requested data at all length scales in the analysis. A companion open-source Python software, NASMAT PrePost, can be used to visualize NASMAT model results and rapidly interrogate multiscale data across multiple length scales. This presentation will demonstrate some of the key features of NASMAT PrePost on two multiscale problems by quickly displaying and demonstrating connectivity among multiscale results from large datasets.

Python↗
NASA NTRS1988

Materials selection for long life in LEO: A critical evaluation of atomic oxygen testing with thermal atom systems

The use of thermal atom test methods as a materials selection and screening technique for low-Earth orbit (LEO) spacecraft is critically evaluated. The chemistry and physics of thermal atom environments are compared with the LEO environment. The relative reactivities of a number of materials determined to be in thermal atom environments are compared to those observed in LEO and in high quality LEO simulations. Reaction efficiencies measured in a new type of thermal atom apparatus are one-hundredth to one-thousandth those observed in LEO, and many materials showing nearly identical reactivities in LEO show relative reactivities differing by as much as a factor of 8 in thermal atom systems. A simple phenomenological kinetic model for the reaction of oxygen atoms with organic materials can be used to explain the differences in reactivity in different environments. Certain specific thermal test environments can be used as reliable materials screening tools. Using thermal atom methods to predict material lifetime in LEO requires direct calibration of the method against LEO data or high quality simulation data for each material.

Koontz, S. L.↗
NASA NTRS1976

Program definition and preliminary results of a long-term evaluation program of advanced composites for supersonic cruise aircraft applications

Advanced composites will play a key role in the development of the technology required for the design and fabrication of future supersonic vehicles. A program is in progress to determine the time-temperature-stress capabilities of several high-temperature composite materials. Tests included in this study are thermal aging, ambient aging, fatigue, creep, fracture, tensile, and real-time flight-simulation exposure. The program has two parts. The first includes all the material-property determinations and aging and simulation exposures up through 10,000 h. The second continues these tests up to 50,000 cumulative h. The program is currently in the midst of the 10,000-h phase. Some of the results obtained to date and the status of the various tests are discussed.

Kerr, J. R.↗
NASA NTRS2018

Molecular Dynamics Simulations of Liquid and Polymer Electrolytes for Energy Storage Devices

Advancing beyond current lithium-ion technology is necessary in order to enable energy storage devices for electric airplanes. Electrolyte stability is a key limiting factor, yet the design of improved electrolytes remains a formidable challenge. Molecular dynamics (MD) simulations are a powerful tool for studying electrolytes, since they can be used to evaluate structural, thermodynamic, and transport properties, and can provide molecular-level detail often inaccessible to experimental techniques. Our computational materials groups at the NASA Ames Research Center has developed models and methods to accurately simulate both liquid and polymer electrolytes.We report the results from atomistic MD simulations of several electrolyte materials, with lithium salts dissolved in ionic liquids, dimethoxyethane (DME), and polyethylene oxide (PEO). For improved accuracy, we employ polarizable models, where each atom is given an environment-dependent atomic dipole. The simulations accurately predict bulk transport properties, including viscosity, diffusion, and ionic conductivity, in quantitative agreement with available experimental data. Moreover, the simulations provide important insights into the solvation structure of the lithium ions.We also report the results from coarse-grained MD simulations of polyanion electrolytes. In order to more efficiently capture the longer length- and time-scales of these systems, we employ a generic bead-spring model. These simulations provide important insight into how the polymer chain architecture and ionic interaction strengths affect the ionic aggregation behavior and cation dynamics. Despite the simplicity of the model, the simulations yield qualitative agreement with experimental data for similar systems.

Abbott, Lauren J.↗
NASA NTRS2011

Notes on Lithology, Mineralogy, and Production for Lunar Simulants

The creation of lunar simulants requires a very broad range of specialized knowledge and information. This document covers several topic areas relevant to lithology, mineralogy, and processing of feedstock materials that are necessary components of the NASA lunar simulant effort. The naming schemes used for both terrestrial and lunar igneous rocks are discussed. The conflict between the International Union of Geological Sciences standard and lunar geology is noted. The rock types known as impactites are introduced. The discussion of lithology is followed by a brief synopsis of pyroxene, plagioclase, and olivine, which are the major mineral constituents of the lunar crust. The remainder of the text addresses processing of materials, particularly the need for separation of feedstock minerals. To illustrate this need, the text includes descriptions of two norite feedstocks for lunar simulants: the Stillwater Complex in Montana, United States, and the Bushveld Complex in South Africa. Magnetic mineral separations, completed by Hazen Research, Inc. and Eriez Manufacturing Co. for the simulant task, are discussed.

Rickman, D. L.↗
NASA NTRS2018

Numerical Simulation of AFP Nip Point Temperature Prediction for Complex Geometries

Material placement at the ideal nip point temperature over complex surfaces with uniformity across the width of the compaction rollers results in optimized part properties for Automated Fiber Placement (AFP) processes. However, current AFP systems utilize heat control models and methodologies, based on multiple process parameters such as feed-rate and orientation, that are mostly open-loop. Here, infrared (IR) heater input is calibrated as a function of process parameters during machine qualification. This work presents a numerical simulation to predict arrayed-infrared (AIR) emitter radiation onto a substrate that includes view factor implementation, IR radiative heat flow calculation, energy rate balance, and a transient heat transfer model. The purpose of this numerical model is to predict nip point temperature on complex surfaces, serving as a baseline for a new arrayed-infrared (AIR) thermoset heater to improve AFP process control. It is anticipated that this simulation will accurately control the temperature for high-speed AFP layup of complex geometries. An anticipated result of an AIR heater system is that material calibration and testing will be reduced as temperature is instantaneously monitored and controlled. Therefore, temperature across the roller width will be uniform during placement of complex parts, independent of their geometry.

Xia, Kaishu↗
NASA NTRS2012

Macro Scale Independently Homogenized Subcells for Modeling Braided Composites

An analytical method has been developed to analyze the impact response of triaxially braided carbon fiber composites, including the penetration velocity and impact damage patterns. In the analytical model, the triaxial braid architecture is simulated by using four parallel shell elements, each of which is modeled as a laminated composite. Currently, each shell element is considered to be a smeared homogeneous material. The commercial transient dynamic finite element code LS-DYNA is used to conduct the simulations, and a continuum damage mechanics model internal to LS-DYNA is used as the material constitutive model. To determine the stiffness and strength properties required for the constitutive model, a top-down approach for determining the strength properties is merged with a bottom-up approach for determining the stiffness properties. The top-down portion uses global strengths obtained from macro-scale coupon level testing to characterize the material strengths for each subcell. The bottom-up portion uses micro-scale fiber and matrix stiffness properties to characterize the material stiffness for each subcell. Simulations of quasi-static coupon level tests for several representative composites are conducted along with impact simulations.

Blinzler, Brina J.↗
NASA NTRS1981

Winter wheat: A model for the simulation of growth and yield in winter wheat

The basic ideas and constructs for a general physical/physiological process level winter wheat simulation model are documented. It is a materials balance model which calculates daily increments of photosynthate production and respiratory losses in the crop canopy. The partitioning of the resulting dry matter to the active growing tissues in the plant each day, transpiration and the uptake of nitrogen from the soil profile are simulated. It incorporates the RHIZOS model which simulates, in two dimensions, the movement of water, roots, and soluble nutrients through the soil profile. It records the time of initiation of each of the plant organs. These phenological events are calculated from temperature functions with delays resulting from physiological stress. Stress is defined mathematically as an imbalance in the metabolite supply; demand ratio. Physiological stress is also the basis for the calculation of rates of tiller and floret abortion. Thus, tillering and head differentiation are modeled as the resulants of the two processes, morphogenesis and abortion, which may be occurring simulaneously.

Baker, D. N.↗
NASA NTRSDate not supplied

Predicting Fiber Failure of Plain Weave Fabric with Recursive Multiscale Micromechanics

Recent advances in the development of machine learning (ML) algorithms have enabled the creation of predictive models that can improve decision making, decrease computational cost, and improve efficiency in a variety of fields. As an organization begins to develop and implement such models, the data used in the training, validation, and testing of machine learning models, the model parameters, and the use cases or limitations of the models must be properly stored to ensure models are both fully traceable and used correctly. In the context of predicting material behavior, advances in computationally intense, physics-based, modeling of material behavior at various length scales, and the emergence of Integrated Computational Materials Engineering (ICME) have driven the need for developing data-driven surrogate models of the physics-based simulation tools using machine learning (ML) techniques. Surrogate model development allows for accurate material behavior prediction at a fraction of the cost of its physics-based counterpart, allowing for multiscale simulations of real-world applications, further enabling the ability to design fit-for-purpose materials for a reasonable computational investment. However, training such models requires extensive data, and thus effective data management is necessary to reach the full potential that ML can offer to material design and ICME. This paper proposes a generalized, robust schema that allows organizations to store both real (experimental) and virtual (simulation) data used to train machine learning models and the defining model parameters and architectures. The developed schema allows for various types of data inputs and outputs, including single point values, time-series data, and images that can be used in for various types of machine learning models while following outlined best practices for effective data management. An effective schema for machine learning data and models can help prevent the recreation of virtual/real training data and surrogate models, can help reduce the time to create new models similar to existing ones by offering a starting point in the hyperparameter determination stages, minimize resources devoted to verification and validation (V&V) and certification of models, and ensure that data and surrogate models are not misused due to full traceability of both the data and ML model. It also allows organizations access to models that have already been developed, such that they can be used in the design of new materials, enabling the overall goals of ICME.

Failure↗
NASA NTRS2019

Validation of Floating Node Method Using Three-Point Bend Doubler Under Quasi-Static Loading

The NASA Advanced Composite Project (ACP), an industry/government/university partnership, has embarked upon the task of developing technology that can aid in reducing the time line for structural certification of aircraft composite parts using a combination of technologies, one of which is high fidelity damage progression computational methods. Phase II of this project included a task for validating an approach based on the Floating Node Method combined with Directional Cohesive Elements (FNM-DCZE). This paper discusses predicted damage onset and growth in a three-point bend doubler specimen compared to experimental results. Sensitivity of the simulations to mesh refinement as well as key material properties and thermal effects are studied and reported. Overall, qualitative results suggest the main aspects of the damage progression have been captured, with the simulated damage morphology and sequence of events resembling closely what was observed experimentally. Quantitatively, the first load-peak is predicted. However, the re-loading observed in the experiments, after the first load peak, is not captured numerically, suggesting further investigation may be worth pursuing.

Selvarathinam, Alex S.↗
NASA NTRSDate not supplied

Relevant Environment Additive Construction Technology (REACT)

Project Overview This project is focused on developing technologies that enable construction of a Lunar Safe Haven type structure on the moon. A full scale architectural and structural design will be completed based on lunar conditions and Artemis mission needs. A scaled structure will be 3D printed in simulated lunar environments. Technical Approach Polymer bound regolith composite materials will be developed and characterized for lunar additive construction applications. A full scale architectural and structural design will be completed based on the latest scientific data on lunar environments including radiation, meteoroids, thermal conditions, reduced gravity, and moonquakes. The project will culminate with a demonstration of additive construction in simulated lunar vacuum, thermal, regolith, and UV conditions. Results/Summary Preliminary material specifications have been developed and an initial batch has been produced. A first iteration of the architectural and structural designs have been completed. Hardware for 3D printing in simulated lunar conditions is under development. Contributing Partners AI Space Factory – Winner of the NASA 3D Printed Habitat Centennial Challenge Infusion and Transition Plan On-surface construction of infrastructure is a critical capability of the sustainable phase of the Artemis Program and eventual sustainable human presence on Mars. It provides the ability to create protective shelters on-demand using local resources. The 3D-printing technology will achieve TRL 6 in 1g/vacuum tests with thermal/UV exposure in this project. CLPS missions will be pursued for infusion to demonstrate vertical construction with lunar regolith and conditions. Modeling and simulation will be used to define the pilot-scale shelter construction mission for long-term exposure on the lunar surface to validate the system for Artemis operational deployment.

Lunar Construction↗
NASA NTRS2015

Kinetic Monte Carlo Simulation of Oxygen Diffusion in Ytterbium Disilicate

Ytterbium disilicate is of interest as a potential environmental barrier coating for aerospace applications, notably for use in next generation jet turbine engines. In such applications, the transport of oxygen and water vapor through these coatings to the ceramic substrate is undesirable if high temperature oxidation is to be avoided. In an effort to understand the diffusion process in these materials, we have performed kinetic Monte Carlo simulations of vacancy-mediated and interstitial oxygen diffusion in Ytterbium disilicate. Oxygen vacancy and interstitial site energies, vacancy and interstitial formation energies, and migration barrier energies were computed using Density Functional Theory. We have found that, in the case of vacancy-mediated diffusion, many potential diffusion paths involve large barrier energies, but some paths have barrier energies smaller than one electron volt. However, computed vacancy formation energies suggest that the intrinsic vacancy concentration is small. In the case of interstitial diffusion, migration barrier energies are typically around one electron volt, but the interstitial defect formation energies are positive, with the result that the disilicate is unlikely to exhibit experience significant oxygen permeability except at very high temperature.

Coatings↗
NASA NTRS1972

Reaction propagation test. Evaluation of the behavior of nonmetallic materials in hydrogen

Results of tests conducted to evaluate the behavior of nonmetallic materials in hydrogen are described. The reaction propagation test simulates the conditions resulting from the interaction of an electrical wire in an overload condition in contract with a material in the test medium. The test is designed to evaluate the behavior of a material subjected to an energy input (usually heat) sufficient to cause a reaction which propagates to consume larger quantities of the material. Ten nonmetallic materials were evaluated to establish baseline data on the behavior of nonmetallic materials in hydrogen and to characterize, on an initial basis, one mode of material failure considered to be a factor pertinent to the safe use of a material in hydrogen.

Smith, I. D.↗
NASA NTRS1997

Computational Modeling Method for Superalloys

Computer modeling based on theoretical quantum techniques has been largely inefficient due to limitations on the methods or the computer needs associated with such calculations, thus perpetuating the notion that little help can be expected from computer simulations for the atomistic design of new materials. In a major effort to overcome these limitations and to provide a tool for efficiently assisting in the development of new alloys, we developed the BFS method for alloys, which together with the experimental results from previous and current research that validate its use for large-scale simulations, provide the ideal grounds for developing a computationally economical and physically sound procedure for supplementing the experimental work at great cost and time savings.

Bozzolo, Guillermo↗
NASA NTRS1973

Evaluation of shuttle solid rocket booster case materials. Corrosion and stress corrosion susceptibility of several high temperature materials

Candidate alloys for the Shuttle Solid Rocket Booster (SRB) case were tested under simulated service conditions to define subcritical flaw growth behavior under both sustained and cyclic loading conditions. The materials evaluated were D6AC and 18 Ni maraging steel, both heat treated to a nominal yield strength of 1380 MN/sq m (200 ksi). The sustained load tests were conducted by exposing precracked, stressed specimens of both alloys to alternate immersion in synthetic sea water. It was found that the corrosion and stress corrosion resistance of the 18 Ni maraging steel were superior to that of the D6AC steel under these test conditions. It was also found that austenitizing temperature had little influence on the threshold stress intensity of the D6AC. The cyclic tests were conducted by subjecting precracked surface-flawed specimens of both alloys to repeated load/thermal/environmental profiles which were selected to simulate the SRB missions. It was found that linear removal operations that involve heating to 589 K (600 F) cause a decrease in cyclic life of D6AC steel relative to those tests conducted with no thermal cycling.

Pionke, L. J.↗
NASA NTRS2003

Micromechanics-Based Computational Simulation of Ceramic Matrix Composites

Advanced high-temperature Ceramic Matrix Composites (CMC) hold an enormous potential for use in aerospace propulsion system components and certain land-based applications. However, being relatively new materials, a reliable design properties database of sufficient fidelity does not yet exist. To characterize these materials solely by testing is cost and time prohibitive. Computational simulation then becomes very useful to limit the experimental effort and reduce the design cycle time, Authors have been involved for over a decade in developing micromechanics- based computational simulation techniques (computer codes) to simulate all aspects of CMC behavior including quantification of scatter that these materials exhibit. A brief summary/capability of these computer codes with typical examples along with their use in design/analysis of certain structural components is the subject matter of this presentation.

Murthy, Pappu L. N.↗
NASA NTRSDate not supplied

The Use of Immersion Rigs for High Temperature Hydrogen Exposure Testing Within the Nuclear Thermal Rocket Element Environmental Simulator (NTREES): NTREES-5 Hydrogen Heat Exchanger (N5HHX-01)

The Nuclear Thermal Rocket Element Environmental Simulator (NTREES) facility at NASA’s Marshall Space Flight Center (MSFC) subjects materials and components typically found on nuclear thermal propulsion (NTP) systems to non-nuclear simulations of prototypic NTP reactor thermohydraulic environments. With 1.2 MW of inductive power available, the currently employed methods to simulate nuclear heating in NTREES consist of 1) inductively heating a test specimen, which typically cannot be performed on ceramic materials, or 2) heating gas that envelops the test specimen. The latter of these has provided a basis for developing so-called “immersion rigs” to be used in NTREES. Furthermore, immersion rigs are especially useful in the case of smaller, technically challenging test specimens. One such device, the “NTREES-5 Hydrogen Heat Exchanger” (N5HHX-01), designed and deployed to test small material coupons to ~0.5 g/s of 2800 K, 500 psi Hydrogen, is discussed herein. To achieve this desired delivery temperature level, the most suitable material for the N5HHX’s construction was pure tungsten, which imposed budgetary and manufacturing challenges. Also discussed in this paper is the design of the N5HHX rig’s sample container, which became the first iteration of improving NTREES small material coupon test operations by permitting rapid changeout of different material samples.

Reactor Testing↗