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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 541 records · Page 30

Preliminary Results on Process Modeling Tools for Determining Variability in Additively Manufactured Stainless Steel 316 Parts

The Advanced Materials and Manufacturing Technologies program aims to accelerate the development, qualification, demonstration, and deployment of advanced materials and manufacturing technologies to enable reliable and economical nuclear energy. However, the distinct characteristics of additive manufacturing (AM) materials, stemming from their unique processing history, microstructure, and properties, pose significant challenges for the qualification and certification of nuclear components. These challenges primarily arise from component-scale variations in microstructure and properties influenced by local process conditions and geometry, which affect thermal history, melt pool dynamics, and microstructure evolution. Computational modeling tools can play a crucial role in predicting and controlling this variability. This report presents preliminary results on process modeling tools designed to predict microstructure variability in additively manufactured stainless steel 316 parts. It details the software packages and physical modeling approaches employed to simulate an AM component within an automated process modeling workflow. Initial results are demonstrated through comparisons between predicted microstructures and experimental measurements across various representative processing conditions. The report concludes by discussing the challenges inherent in process modeling of AM components and outlines a plan for future development needs.

36 MATERIALS SCIENCE↗

Comparison Study of Conventional and Adaptive Mesh Refinement in Organic Material Decomposition Models

This study compares conventional mesh refinement techniques, specifically Uniform Mesh Refinement (UMR), with a new Adaptive Mesh Refinement (AMR) method, applied to Organic Material Decomposition (OMD) models. The proposed benefit of AMR is that only areas that require refinement, based on minimizing a specific field gradient, are refined thus decreasing model wall time compared to conventional UMR methods. This work specifically focuses on comparing UMR and AMR methods on decomposing (both No-Flow and Porous-Flow material models) Polymeric Methylene Diisocyanate (PMDI) polyurethane foam. Throughout the work, the geometry increased in complexity to assess the refinement methods performance at varying levels geometric intricacy. While AMR has been shown to work well in a variety of applications, the UMR approach proved to be computationally faster, for many of the geometries and foam decomposition models, than AMR. However, it was observed that at higher levels of refinement, greater than 3 UMR, AMR begins to be computationally better. Additionally, the settings used to perform AMR greatly impact its performance, and lessons learned, in terms of OMD models, are shared. Due to physics involved in material decomposition, specifically the evolution of state variables, these problems don’t fully benefit from the advantages of AMR.

36 MATERIALS SCIENCE↗

Rapid assessment of the creep rupture life of metals: A model enabling experimental design

Prediction of the creep rupture life of engineering metals is critical for qualification and design of new materials. The use of long-term creep tests and the need to quantify the performance variability in a priori similar systems hinder the rapid creep assessment of a given material. Therefore, it is essential to develop methods that can extrapolate the long-term performance of alloys and the associated variability from short-term experiments. To this end, this study introduces a new model which enables the estimation of the rupture life of a material for a given stress and temperature. This model relies on two components. First, a new relation for the minimum creep rate (MCR) of materials is introduced. It includes a stress dependent stress exponent allowing the model to capture the variation of MCR across a wide range of temperatures and stresses. Second, employing the Monkman-Grant (MG) law, we establish a relation between stress, temperature and creep rupture life. Together, these two elements yield a new closed-form mathematical expression for the Larson Miller parameter as a function of stress and temperature. This expression captures the creep rupture time for many metals (Gr91, Copper, Gr122 and 347H) and compares favorably with alternate empirical approaches. The model is then used to assess the minimum duration of creep rates necessary to qualify the material up to 100000h. Furthermore, it is found that depending on the material system, creep tests as few as five limited to 5000 h for steels (Gr91, Gr122, 347H) and 100 h for copper are sufficient to model creep lifetimes. Finally, using a Bayesian inference-based approach to calibrate the model, we demonstrate that variability in rupture life can be captured via the quantification of the uncertainty in the model parameters and extrapolated from a limited number of short to moderately short creep tests; thereby paving the way for accelerated creep testing.

36 MATERIALS SCIENCE↗

Component testing of a ground based gas turbine steam cooled rich-burn primary zone combustor for emissions control of nitrogeneous fuels

This effort summarizes the work performed on a steam cooled, rich-burn primary zone, variable geometry combustor designed for combustion of nitrogeneous fuels such as heavy oils or synthetic crude oils. The steam cooling was employed to determine its feasibility and assess its usefulness as part of a ground based gas turbine bottoming cycle. Variable combustor geometry was employed to demonstrate its ability to control primary and secondary zone equivalence ratios and overall pressure drop. Both concepts proved to be highly successful in achieving their desired objectives. The steam cooling reduced peak liner temperatures to less than 800 K. This low temperature offers the potential of both long life and reduced use of strategic materials for liner fabrication. These degrees of variable geometry were successfully employed to control air flow distribution within the combustor. A variable blade angle axial flow air swirler was used to control primary zone air flow, while the secondary and tertiary zone air flows were controlled by rotating bands which regulated air flow to the secondary zone quench holes and the dilutions holes respectively.

Schultz, D. F.↗

Concept for design of variable stiffness damper

Damping mechanism, containing polymeric-like materials is applicable to a wide range of shock and vibration. The polymeric-like material changes from a relatively stiff material to a relatively soft, rubbery material in the region of their glass transition temperatures. The energy absorption characteristics and stiffness are controllable with temperature.

Lohr, J. J.↗

Modeling Si/SiGe quantum dot variability induced by interface disorder reconstructed from multiperspective microscopy

SiGe heteroepitaxial growth yields pristine host material for quantum dot qubits, but residual interface disorder can lead to qubit-to-qubit variability that might pose an obstacle to reliable SiGe-based quantum computing. By convolving data from scanning tunneling microscopy and high-angle annular dark field scanning transmission electron microscopy, we reconstruct 3D interfacial atomic structure and employ an atomistic multi-valley effective mass theory to quantify qubit spectral variability. The results indicate (1) appreciable valley splitting (VS) variability of ~50% owing to alloy disorder and (2) roughness-induced double-dot detuning bias energy variability of order 1–10 meV depending on well thickness. For measured intermixing, atomic steps have negligible influence on VS, and uncorrelated roughness causes spatially fluctuating energy biases in double-dot detunings potentially incorrectly attributed to charge disorder. Our approach yields atomic structure spanning orders of magnitude larger areas than post-growth microscopy or tomography alone, enabling more holistic predictions of disorder-induced qubit variability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Higher-order factorization machine for accurate surrogate modeling in material design

Efficient and robust optimization is important in material science for identifying optimal structural parameters and enhancing material performance. Surrogate-based active learning algorithms have recently gained great attention for their ability to efficiently navigate large, high-dimensional design spaces. Among surrogate models, 2 nd -order factorization machine (FM) models are widely employed as the surrogate model in active learning algorithms due to their balance between simplicity and effectiveness. However, their quadratic nature limits their capacity to capture complex, higher-order interactions among variables, often leading to suboptimal solutions. To overcome this limitation, we propose an active learning scheme integrating a 3 rd -order FM model, capable of modeling three-variable interactions and more intricate relationships in material systems. We comprehensively evaluate the surrogate modeling performance of the 3 rd -order FM case using various objective functions. Furthermore, we examine the optimization reliability and efficiency of the 3 rd -order FM-based active learning in a real-world material design task (e.g., nanophotonic structures for transparent radiative cooling). Our study shows that the 3 rd -order FM outperforms the 2 nd -order model in both surrogate accuracy and optimization performance, highlighting higher-order models’ promises for material design and optimization problems.

Factorization machine↗

Sludge Batch 10 Frit Development and Variability Study Matrix Design

The Defense Waste Processing Facility (DWPF) is currently preparing to initiate processing of Sludge Batch 10 (SB10), which is comprised of material from Tanks 11H, 13H, 15H, and 26H, and Alternate Feed Stock-2 (AFS-2). H-Canyon also had a need to discard Sodium Reactor Experiment (SRE) material that was stored in Tanks 16.3 and 16.4. Savannah River Remediation (SRR) added a portion of the SRE material to Sludge Batch 9 (SB9) in Tank 40 and the remainder was added to SB10 that is currently being prepared in Tank 51. In support of sludge batch preparation and qualification efforts, SRR requested that the Savannah River National Laboratory (SRNL) complete the following tasks based on the SB10 projections provided by the SRR System Planning group.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

System and method for controlling an energy beam of an additive manufacturing system

An additive manufacturing system includes an energy beam generator that generates an energy beam to melt and fuse raw materials for a part and a computing device that controls operation of the energy beam generator. The computing device includes a memory element that stores or access a three-dimensional model of the part, and a processing element that receives at least a portion of the three-dimensional model and controls a parameter of the energy beam generator according to a gradient function so as to apply a variable amount of heat to the raw material that forms an overhang on the part.

42 ENGINEERING↗

Identification of Critical Material Attributes in Lignin Streams Based on Pseudomonas putida Performance

Variability in chemical composition of corn stover feedstocks has been suggested to play a role in biocatalyst performance during the conversion of lignocellulosic biomass to value-added compounds. In previous studies, we investigated the performance of Pseudomonas putida CJ781 - an engineered bacterium that converts aromatic compounds to muconate - on various lignin streams produced from the deacetylation of corn stover, and we found significant differences on muconate production. To better understand the origin of these differences, we down selected twenty-two compounds from literature - that had previously been detected as extractives in lignin streams - and we analyzed their concentrations in 12 lignin streams generated from different feedstocks. P. putida CJ781 was then cultivated in mock lignin streams supplemented with various concentrations of these compounds. Bacterial growth was tracked in microtiter plates and the performance was measured by comparing maximum growth rates among conditions. At maximum concentrations that may be found in lignin streams, sodium was the material attribute that limited growth rate in a greater extent, with a reduction in growth rate by 8 to 37%, depending on the counter ion, with sodium nitrate being the most inhibitory, followed by sodium acetate, sodium chloride, and sodium sulfate. Ammonium acetate was also found to be inhibitory at average concentrations of ammonium in lignin streams, reducing maximum growth rate by 18%. Overall, the data from this study has allowed to down select critical material attributes in lignin streams and process parameters that significantly affect the performance of P. putida and will be used as input to predictive models that aim to reduce risks attributed to feedstock variability in lignocellulosic biorefineries.

biocatalyst↗

A combined machine learning and density functional theory study of binary Ti-Nb and Ti-Zr alloys: Stability and Young’s modulus

The multicomponent Ti alloys, specifically the -phase, have experienced a strong growth over the last decades, due to their outstanding properties of ultra-high strength and low Young’s modulus. These properties play a significant role in many aerospace and biomedical applications. Selection and optimization of multicomponent alloys is challenging due to the vast chemical and compositional space. Here we investigate the use of machine learning techniques informed by density functional calculations to guide the selection of Nb- and Zr-based Ti binary alloys. From the cubic structures obtained from high throughput calculations and literature, we identify several structures with Young’s moduli below 40 GPa. The multivariant decision tree methods provide efficient surrogate models to identify structure variables have high influences on the energetic stability and Young’s modulus. Furthermore, we implement a workflow of incorporating DFT provided results and machine learning method to explore the chemical and composition space of other binary and multicomponent alloys, to eventually accelerate the material design via taking advantages of identified key variables.

36 MATERIALS SCIENCE↗

Acoustic wave propagation in heterogeneous structures including experimental validation

A finite element model was developed to solve for the acoustic pressure and energy fields in a heterogeneous suppressor. The derivations from the governing equations assumed that the material properties could vary with position resulting in a heterogeneous variable property two-dimensional wave equation. This eliminated the necessity of finding the boundary conditions between different materials. For a two media region consisting of part air and part bulk absorber, a model was used to describe the bulk absorber properties in two directions. Complex metallic structures inside the air duct are simulated by simply changing element properties from air to the structural material in a pattern to describe the desired shapes. To verify the numerical theory, experiments were conducted without flow in a rectangular duct with a single folded cavity mounted above the duct and absorbing material mounted inside a cavity. Changes in a nearly plane wave sound field were measured on the wall opposite the absorbing cavity. Fairly good agreement was found in the standing wave pattern upstream of the absorber and in the decay of pressure level opposite the absorber, as a function of distance along the duct. The finite element model provides a convenient method for evaluating the acoustic properties of bulk absorbers.

Baumeister, Kenneth J.↗

Acoustic wave propagation in heterogeneous structures including experimental validation

A finite element model was developed to solve for the acoustic pressure and energy fields in a heterogeneous suppressor. The derivations from the governing equations assumed that the material properties could vary with position resulting in a heterogeneous variable property two-dimensional wave equation. This eliminated the necessity of finding the boundary conditions between different materials. For a two-media region consisting of part air and part bulk absorber, a model was used to describe the bulk absorber properties in two directions. Complex metallic structures inside the air duct are simulated by simply changing element properties from air to the structural material in a pattern to describe the desired shapes. To verify the numerical theory, experiments were conducted without flow in a rectangular duct with a single folded cavity mounted above the duct and absorbing material mounted inside a cavity. Changes in a nearly plane wave sound field were measured on the wall opposite the absorbing cavity. Fairly good agreement was found in the standing wave pattern upstream of the absorber and in the decay of pressure level opposite the absorber, as a function of distance along the duct. The finite element model provides a convenient method for evaluating the acoustic properties of bulk absorbers.

Baumeister, Kenneth J.↗

The development of methods for the prediction of primary creep behavior in metals

The applicability of a thermodynamic constitutive theory of deformation to the prediction of primary creep and creep strain relaxation behavior in metals is examined. Constitutive equations derived from the theory are subjected to a parametric analysis in order to determine the influence of several parameters on the curve forms generated by the equations. A computer program is developed which enables the solution of a generalized constitutive equation using experimental data as input. Several metals were tested to form a data base of primary creep and relaxation behavior. The extent to which these materials conformed to the constitutive equation showed wide variability, with the alloy Ti-6Al-4V exhibiting the most consistent results. Accordingly, most of the analysis is concentrated upon data from that alloy, although creep and relaxation data from all the materials tested are presented. Experimental methods are outlined as well as some variations in methods of analysis. Various theoretical and practical implications of the work are discussed.

Zerwekh, R. P.↗

Observation of spatter-induced stochastic lack-of-fusion in laser powder bed fusion using in situ process monitoring

Material produced via additive manufacturing (AM) continues to exhibit variable mechanical properties despite apparent optimization of processing parameters, inhibiting qualification efforts and limiting use in critical applications. Stochastic lack-of-fusion flaws may help explain this variability, but the origin of these seemingly random defects has to this point remained unclear. In this work, we show that spatter particles, material ejected from the laser melt pool, are directly responsible for generating stochastic lack-of-fusion in laser-based powder bed fusion components through the application of spatial statistics. Herein a statistically significant, causal relationship between spatter particles and stochastic lack-of-fusion is established, and the spatial and morphological relationships between spatter and internal flaws are investigated. The occurrence of spatter-induced lack-of-fusion in relation to the inert gas flow and laser trajectory direction is also investigated, and recommendations for mitigating the occurrence of spatter are evaluated.

36 MATERIALS SCIENCE↗

Probabilistic analysis for fatigue strength degradation of materials

This report presents the results of the first year of a research program conducted for NASA-LeRC by the University of Texas at San Antonio. The research included development of methodology that provides a probabilistic treatment of lifetime prediction of structural components of aerospace propulsion systems subjected to fatigue. Material strength degradation models, based on primitive variables, include both a fatigue strength reduction model and a fatigue crack growth model. Linear elastic fracture mechanics is utilized in the latter model. Probabilistic analysis is based on simulation, and both maximum entropy and maximum penalized likelihood methods are used for the generation of probability density functions. The resulting constitutive relationships are included in several computer programs, RANDOM2, RANDOM3, and RANDOM4. These programs determine the random lifetime of an engine component, in mechanical load cycles, to reach a critical fatigue strength or crack size. The material considered was a cast nickel base superalloy, one typical of those used in the Space Shuttle Main Engine.

Royce, Lola↗

The Two-Cavity Method for Characterizing Acoustical Materials—an Interlaboratory Study

This study focuses on understanding the sound absorption characteristics of porous acoustic materials, which are determined by two key parameters independent of material thickness: characteristic impedance and propagation constant. These parameters can be characterized by testing a porous sample concept in a normal incidence impedance tube using either the two-thickness or the two-cavity method. In the two-thickness method, two samples of varying thicknesses are required. In contrast, the two-cavity method requires testing one sample at two different air cavity depths behind the porous material. This method is particularly advantageous for materials that are costly or challenging to fabricate. This interlaboratory study evaluates the variability of characteristic properties determined using the two-cavity method. Porous acoustic materials were additively manufactured and tested in the Liner Technology Facility(LTF)at NASA Langley Research Center and the Mechanics, Acoustics and Dynamics Lab (MADLab) at Michigan Technological University. The characteristic properties derived from various cavity depth combinations were used to predict the surface impedance of the sample with a rigid backing. The prediction was then compared the measured impedance spectrum. It was also found that the combinations of cavity depths can significantly influence the accuracy of the deduced properties.

acoustic liners↗

NASA Ground-based Layered Pressure Vessels Materials Report

A significant portion of Layered Pressure Vessels (LPVs) manufactured for NASA in the 1950s and ’60s are of non-code construction. These vessels were constructed to the standards of individual manufacturers rather than an industry or consensus standard and often contain legacy or proprietary materials, which have poor or no characterization. Obtaining correct material properties is the first step in assuring vessel safety and predicting life and critical failure modes before they happen. This report details the efforts of the LPV Project related to material properties and characterization. The goal in testing materials from deconstructed vessels was to provide material characterization utilizing modern test methods that would give a strong probabilistic base as an option for future analysis. ASTM E1820, Standard Test Method for Measurement of Fracture Toughness was used for fracture toughness; ASTM E1921, Standard Test Method for Determination of Reference Temperature, T0, for Ferritic Steels in the Transition Range for transition temperature; and ASTM E647, Standard Test Method for Measurement of Fatigue Crack Growth Rates for fatigue crack growth. Particular focus was placed on determination of transition temperature through evaluation of the T0 reference temperature in accordance with ASTM E1921. Transition temperature testing allows for a probabilistic analysis of vessel materials that may be operating at temperatures below the transition from ductile tearing to brittle cleavage failure. This test method was not available at the time of construction and has proved invaluable to the characterization of older ferritic steels. The values reported are specific to the largest body of materials found in the current NASA fleet, but do not claim to be all inclusive. As demonstrated in this report, some materials contain extreme lot-to-lot variability. In some cases, this can be comfortably bounded by worst case probabilistic methods, however it is always recommended that vessel specific data be collected in as much depth as possible to ensure correct assumptions and avoid unduly restricting vessel usage.

Layered Pressure Vessel↗