Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Material microstructure”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Next Generation Durability and Damage Tolerance to Support Certification of Flight Hardware

Durability and Damage Tolerance (D&DT), as currently applied to flight hardware throughout the Agency, is based on continuum and similitude assumptions and does not consider local material properties, environments and responses. These limitations impact our ability to support certification of new component designs, material systems and manufacturing approaches. The primary concern in this Engineering R&A plan is related to the imminent proliferation of parts produced by additive manufacturing (AM). These parts are being advocated by NASA’s suppliers for use on a myriad of flight hardware because of their design flexibility and cost advantages. AM provides opportunities to reduce part counts through complex geometry and reduce manufacturing costs of low volume parts. However, AM materials have some notable metallurgical and microstructural differences compared to traditionally fabricated materials. One of the challenges for the acceptance of AM is the greater tendency for a deleterious defect state, most commonly in the form of porosity, to exist in AM parts. Though this defect state is typically reduced through a hot isostatic pressing (HIP) processing step, the structural performance risks associated with the remaining defects and HIP-healed features is not known. Potential fracture control issues that must be resolved stem from the real possibility that an unhealed defect or a closed defect with less than pristine strength remains at a fracture critical location after HIP. As a result, NASA and the entire aerospace community have been confronted with the need to develop a robust and relevant certification methodology to enable safe implementation of these components. The present work is an important step toward positioning NASA to credibly respond to vendors’ push to implement this new AM materials technology by improving our understanding of AM processing and performance and transitioning that research-based understanding to next-generation engineering capabilities.

Edward H Glaessgen↗
DOE OSTI2024

Image-Based Failure Assessment of Li-Ion Batteries

In energy storage materials, strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking during charge/discharge cycling, resulting in reduced performance and service life. In this work, a digital twin is created to investigate the performance of a heterogeneous Li-ion battery cathode and simulate degradation accumulation. Pixel-based model construction is used to represent the complex material geometries from microstructural images supplied by the National Renewable Energy Laboratory (NREL). Because of the expected large deformation and crack opening, the reproducing kernel particle method (RKPM), a meshfree method with discretization at the image pixels, is used to approximate the field variables: electrostatic potential, concentration, and displacement. An interface modified reproducing kernel (IM-RK) is constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. IM-RK is additionally used to inform how crack evolution in turn affects the coupled electro-chemo-mechanical behavior of the Li-ion battery cathode.

image-based modeling↗
DOE OSTI2026

Affine Transformations to Enable Machine Learning for Semi-Quantitative EDS Analysis

Energy Dispersive X-ray Spectroscopy (EDS) is an essential technique for determining elemental concentrations and distributions within microstructures, critical for materials discovery, optimization, and qualification. However, most published EDS data is qualitative because current quantitative EDS analysis methods require extensive calibration and post-processing, limiting their practicality and widespread adoption. This work seeks to establish a framework for accelerated EDS characterization and spectrum analysis that can leverage ML to analyze correlations between various elemental compositions and resulting EDS spectra. The complex physics and data result in a high-dimensional problem that grows exponentially with the number of elements in the system and the complexity of the spectrum analysis. ML provides a way to compute and optimize the results of this highly dimensional problem in a flexible way to tailor it to the user’s specific needs and material system. However, the framework emphasizes transparency through a strictly mathematical affine transformation, so the analysis remains understandable and reviewable to facilitate adoption by the scientific community. While currently implemented methods are simplistic and unvalidated, further development and demonstration of this framework could enable high-throughput, accurate, and accessible EDS characterization.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Affine Transformations to Correlate Experimental and Simulated EDS Spectra for Multi-Element Systems

Energy Dispersive X-ray Spectroscopy (EDS) is an essential technique for determining elemental concentrations and distributions within microstructures, critical for materials discovery, optimization, and qualification. However, most published EDS data is qualitative because current quantitative EDS analysis methods require extensive calibration and post-processing, limiting their practicality and widespread adoption. This work seeks to establish a framework for accelerated EDS characterization and spectrum analysis that can leverage ML to analyze correlations between various elemental compositions and resulting EDS spectra. The complex physics and data result in a high-dimensional problem that grows exponentially with the number of elements in the system and the complexity of the spectrum analysis. ML provides a way to compute and optimize the results of this highly dimensional problem in a flexible way to tailor it to the user’s specific needs and material system. However, the framework emphasizes transparency through a strictly mathematical affine transformation, so the analysis remains understandable and reviewable to facilitate adoption by the scientific community. While currently implemented methods are simplistic and unvalidated, further development and demonstration of this framework could enable high-throughput, accurate, and accessible EDS characterization.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Report on the Integration of Experimental and Modeling Data for Initial Equivalence Study of Microstructural Evolution in Irradiated LPBF 316SS

Advanced materials and manufacturing technologies are poised to improve the safety and design characteristics of nuclear technologies and meet US energy, environmental, and economic needs. In particular, metal additive manufacturing (AM) provides an opportunity to produce novel materials and component geometries, but their use is not without hurdles arising from the inherent microstructure variability that can result from the layer-by-layer build approach. Given the greater possible microstructure variability in AM materials—and the dearth of materials test reactors—it is impractical to rely solely on neutron irradiation studies to produce data for materials qualification for every possibility. This work within the Advanced Materials and Manufacturing Technologies (AMMT) Environmental Effects technical area contributes to the rapid qualification framework by developing a science-driven framework for the accelerated qualification of materials for nuclear environments. A key product of the Environmental Effects technical area of the AMMT program is the Licensing Approach with Ions and Neutrons (LAIN). This approach recognizes that whether using existing materials in new environments, newly developed materials tailored for these environments, or new manufacturing methods, the traditional decades-long approach for materials qualification does not facilitate rapid deployment. In FY 2023, the AMMT program presented a conceptual framework of specific steps to fulfill several technical challenges associated with qualifying materials for performance in radiation environments on an accelerated time frame informed by the state of the art in materials science and a review of the current regulatory landscape. The objective of this section of the Environmental Effects technical area is to critically evaluate and refine the proposed qualification framework presented under AMMT by integrating the research results of the neutron irradiations, the ion irradiations, and modeling efforts. These ongoing efforts span across Argonne National Laboratory (ANL), Idaho National Laboratory (INL), and Oak Ridge National Laboratory (ORNL) and are closely coordinated.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Report on the FY20 Characterization of Age Hardened Alloy 709 Materials

This report provides the results on microstructural characterization of the first commercial heat of Alloy 709 plate material undergone additional age hardening treatment. In FY19, through thermodynamic-kinetic modeling and microstructural characterization, it is determined that the 775°C/10 h age-hardening treatment can promote desired precipitation on dislocations and has the potential to further improve the mechanical performance of the material. In FY20, the treatment protocol was applied to the ESR-1150°C condition, and the microstructure was then compared with the ESR-1100°C condition. It was found that the 1150°C solution annealing (SA) dramatically reduced the dislocation density compared to the 1100°C SA, resulting a smaller number density of Nb-rich fine precipitates which grow on dislocations during the age hardening treatment. Other features are very similar between the two. The effect of age hardening on creep performance is discussed. In addition, TEM characterization of a creep-ruptured sample (600°C/330 MPa) was performed. Specimens from the grip region and the gauge region was studied. The grip region specimen was effectively aged at 600°C for extended period, while the gauge region specimen was mechanically deformed at 600°C. The microstructures are very different, implying the importance of a dynamical effect on precipitation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Microstructural pattern formation during liquid metal dealloying: Phase-field simulations and theoretical analyses

In recent years, liquid metal dealloying has emerged as a promising material processing method to generate micro- and nanoscale bicontinuous or porous structures. Most previous studies focused on the experimental characterization of the dealloying process and on the properties of the dealloyed materials, leaving the theoretical study incomplete to fully understand the fundamental mechanisms of the liquid metal dealloying process. In this paper, we use theoretical models and phase-field simulations to clarify the kinetics and pattern formation during liquid metal dealloying. Our investigation starts from a theoretical analysis of the 1D dissolution of a binary precursor alloy, which reveals that the 1D dissolution process involves two regimes. In the first regime, due to the low solubility of one of the elements in the melt, it accumulates at the solid-liquid interface, which reduces the dissolution kinetics. In the second regime, the interface kinetics reaches a stationary regime where both elements of the precursor alloy dissolve into the melt. Previous works revealed that in the early dealloying stage, the dealloying front is destabilized by an interfacial spinodal decomposition, which triggers the formation of interconnected ligaments. Here we extend this line of work by proposing a linear stability analysis able to predict the initial length scale of the ligaments formed in the initial stage of the dealloying. Combining this analysis with the 1D dissolution model proposed here enables us to better understand the initial conditions (composition of the precursor alloy and the melt) leading to a planar dissolution without interface destabilization. Finally, we report a strong influence of solid-state diffusion on dealloying. Although the solid-state diffusivity is four to five orders of magnitude smaller than in the liquid phase, it is found to affect both dissolution kinetics and ligament morphologies.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Degradation of Carbon Fiber Microstructures Due to Oxidative Etch Pitting

In order to understand the influence of etch pits on the material properties of carbon fiber microstructures, we use the Porous Microstructure Analysis (PuMA) software to create realistic pitted structures from virgin fiber structures and then analyze their degradation as the degree of pitting increases. For that purpose, we developed a pitting module within PuMA that creates pits with user-defined geometry (shape, size) and distribution (defect density) on the surface of arbitrary microstructures. In this work, we consider FiberForm microstructures, which are commonly used as the base material for ablative thermal protection systems (TPS). Using the new pitting module, we mimic the evolution of etch pits on FiberForm as it occurs from oxidation in ablative heating environments, by first importing the virgin FiberForm structure from a micrograph scan and then imposing different pitting conditions by varying pit radii and defect densities. We then leverage PuMA’s capabilities to calculate material properties for each structure. The results clearly show the degradation of thermal conductivity and structural integrity as etch pits grow, and furthermore highlight the complex evolution of the surface topology, which results in significant changes of the flowgeometry and chemical gas-surface interactions. Furthermore, a comparison of these changes with the case of shrinking fibers, which has heretofore been the standard for modelling ablation of carbon structures, yields significant differences. For example, we observe the formation of small chunks of fibers as pits grow in size, which could be released into the surrounding flow environment as spallation particles. This motivates us to continue our efforts of modelling pitting as an integral part of the structural degradation of carbon fiber structures in oxidation environments, which will ultimately improve our understanding of failure mechanisms in those materials.

PuMA↗
NASA NTRSDate not supplied

Degradation of Carbon Fiber Microstructures Due to Oxidative Etch Pitting

In order to understand the influence of etch pits on the material properties of carbon fiber microstructures, we use the Porous Microstructure Analysis (PuMA) software to create realistic pitted structures from virgin fiber structures and then analyze their degradation as the degree of pitting increases. For that purpose, we developed a pitting module within PuMA that creates pits with user-defined geometry (shape, size) and distribution (defect density) on the surface of arbitrary microstructures. In this work, we consider FiberForm microstructures, which are commonly used as the base material for ablative thermal protection systems (TPS). Using the new pitting module, we mimic the evolution of etch pits on FiberForm as it occurs from oxidation in ablative heating environments, by first importing the virgin FiberForm structure from a micrograph scan and then imposing different pitting conditions by varying pit radii and defect densities. We then leverage PuMA’s capabilities to calculate material properties for each structure. The results clearly show the degradation of thermal conductivity and structural integrity as etch pits grow, and furthermore highlight the complex evolution of the surface topology, which results in significant changes of the flowgeometry and chemical gas-surface interactions. Furthermore, a comparison of these changes with the case of shrinking fibers, which has heretofore been the standard for modelling ablation of carbon structures, yields significant differences. For example, we observe the formation of small chunks of fibers as pits grow in size, which could be released into the surrounding flow environment as spallation particles. This motivates us to continue our efforts of modelling pitting as an integral part of the structural degradation of carbon fiber structures in oxidation environments, which will ultimately improve our understanding of failure mechanisms in those materials.

PuMA↗
NASA NTRS1995

Study Of Nondestructive Techniques For Testing Composites

Study evaluates some nondestructive methods for characterizing ceramic-, metal-, and polymer-matrix composite materials. Results demonstrated utility of two ultrasonic methods for obtaining quantitative data on microstructural anomalies in composite materials.

Roth, D.↗
NASA NTRSDate not supplied

Updates to the Predictive Materials Modeling Software Tools

Updates on NASA's efforts to build predictive material models from the micro-scale to the macro-scale are presented. To complement the mission design cycle process and reduce the need for extensive testing, NASA is developing modeling and simulation tools that enable characterizing material properties and response to hot plasma experienced during atmospheric entry. The PuMA (microstructure analysis), PATO (macroscale material response), SPARTA (direct simulation Monte Carlo) and ARCHeS (arc heater modeling) codes are described. A range of applications, encompassing calculating effective material properties, study of high shear boundary layer flow over woven materials, new model of silicone-based coatings, new model of mechanical erosion, as well as approach to loose multi-physics coupling, are presented.

material modeling↗
DOE OSTI2026

Thermal cycling-driven microstructural changes of eutectic Al–Si phase change materials in SS304 containers revealed by multi-modal imaging

Aluminum-based Al–Si alloys are widely used as phase change materials (PCMs) in thermal energy storage (TES) systems owing to their high volumetric latent heat and superior thermal conductivity. However, their long-term reliability is limited by degradation processes that remain insufficiently understood. In this work, we employ a multimodal, correlative characterization framework to systematically resolve the degradation behavior of eutectic Al–Si PCMs in contact with SS304 containers under repeated thermal cycling. By integrating high-resolution electron microscopy, three-dimensional X-ray fluorescence (3D XRF) imaging, and differential scanning calorimetry (DSC), we directly link spatially resolved compositional and microstructural evolution to changes in thermophysical properties. The correlative analysis reveals that elemental leaching of Fe, Cr, and Ni from the stainless-steel container into the PCM drives the formation of intermetallic compounds (IMCs) both at the interface and within the bulk PCM, leading to pronounced compositional heterogeneity. These interfacial reactions and diffusion-induced transformations progressively destabilize the Al–Si eutectic, reducing the effective phase-transforming fraction. Consistent with these observations, DSC measurements show a decrease in melting temperature and latent heat of fusion with thermal cycling. These results underscore the critical influence of interfacial reactions and material compatibility on the stability, durability, and overall performance of Al–Si-based TES systems.

25 ENERGY STORAGE↗
DOE OSTI2022

A Stochastic Reduced-Order Model for Statistical Microstructure Descriptors Evolution

Integrated computational materials engineering (ICME) models have been a crucial building block for modern materials development, relieving heavy reliance on experiments and significantly accelerating the materials design process. However, ICME models are also computationally expensive, particularly with respect to time integration for dynamics, which hinders the ability to study statistical ensembles and thermodynamic properties of large systems for long time scales. To alleviate the computational bottleneck, we propose to model the evolution of statistical microstructure descriptors as a continuous-time stochastic process using a non-linear Langevin equation, where the probability density function (PDF) of the statistical microstructure descriptors, which are also the quantities of interests (QoIs), is modeled by the Fokker–Planck equation. In this work, we discuss how to calibrate the drift and diffusion terms of the Fokker–Planck equation from the theoretical and computational perspectives. The calibrated Fokker–Planck equation can be used as a stochastic reduced-order model to simulate the microstructure evolution of statistical microstructure descriptors PDF. Considering statistical microstructure descriptors in the microstructure evolution as QoIs, we demonstrate our proposed methodology in three integrated computational materials engineering (ICME) models: kinetic Monte Carlo, phase field, and molecular dynamics simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Determination of preferential binder oxidation in HTGR matrix material subjected to high temperature steam

Graphitic matrix material encapsulates tristructural isotropic (TRISO) coated fuel particles and is a structural component for both pebble and cylindrical fuel compacts in high temperature gas reactor (HTGR) designs. In an off-normal event involving steam exposure, the matrix material is exposed to oxidants, leading to degradation of the fuel compact and subsequent exposure of the TRISO particle fuel to oxidizing species. This study presents microstructural characterization of matrix material after exposure to high temperature (1200°C), 48 kPa steam in which the evolved microstructure demonstrated nonuniform degradation. Subsequent Raman spectroscopy determined the nature of the remaining material post-exposure. Finally, the electron microscopy characterization suggests and Raman spectroscopic analysis confirms, under off-normal conditions, the carbonized phenolic resin binder is preferentially oxidized ahead of the graphite flake filler and is responsible for the nonuniform degradation and enhanced depth of attack.

36 MATERIALS SCIENCE↗
NASA NTRS1985

The effect of material heterogeneity and random loading on the mechanics of fatigue crack growth

This paper reviews experimental work on the influence of variable amplitude or random loads on the mechanics and micromechanisms of fatigue crack growth. Implications are discussed in terms of the crack driving force, local plasticity, crack closure, crack blunting, and microstructure. Due to heterogeneity in the material's microstructure, the crack growth rate varies with crack tip position. Using the weakest link theory, an expression for crack growth rate is obtained as the expectation of a random variable. This expression is used to predict the crack growth rates for aluminum alloys, a titanium alloy, and a nickel steel in the mid-range region. It is observed, using the present theory, that the crack growth rate obeys the power law for small stress intensity factor range, and that the power is a function of a material constant.

Srivatsan, T. S.↗
DOE OSTI2023

The Addition of Boron to Melt-Spun Fe-6.5%Si Ribbons

Fe-6.5%Si has higher electrical resistivity, lower magnetocrystalline anisotropy, and lower magnetostriction than traditional Fe-3.2%Si silicon steel. The reduced iron losses of Fe-6.5%Si render it a highly favorable candidate for high-speed motors and transformers. However, large-scale production of wide Fe-6.5%Si tape by rapid solidification can be challenging mainly because of its high melting point. In this work, boron is alloyed to Fe-6.5%Si to reduce its melting temperature and interfacial energy to improve the alloy’s processability. Boron additions from 0.01 wt.% to 2.24 wt.% into Fe-6.5%Si and its effect on ribbon thickness, grain size, magnetic, and mechanical properties were studied. Further, minor boron alloying significantly changed the melt pool stability and wetting on the quench wheel and in turn increased the quench rate with minimum impact on the magnetic saturation and ductility. Boron addition of < 0.06 wt.% was also found beneficial to the magnetic property of the alloy by lowering both its hysteresis and eddy current losses.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Science and Technology of High Performance Ferritic (HiperFer) Stainless Steels

Future, flexible thermal energy conversion systems require new, demand-optimized high-performance materials. The High performance Ferritic (HiperFer) stainless steels, under development at the Institute of Microstructure and Properties of Materials (IEK-2) at Forschungszentrum Jülich GmbH in Germany, provide a balanced combination of fatigue, creep and corrosion resistance at reasonable price. This paper outlines the scientific background of alloy performance development, which resulted in an age-hardening ferritic, stainless steel grade. Furthermore, technological properties are addressed and the potential concerning application is estimated by benchmarking versus conventional state of the art materials.

36 MATERIALS SCIENCE↗