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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Fluctuations and power-law scaling of dry, frictionless granular rheology near the hard-particle limit

Here the flow of frictionless granular particles is studied with stress-controlled discrete element modeling simulations for systems varying in size from 300 to 100,000 particles. The volume fraction and shear-stress ratio μ are relatively insensitive to system size for a wide range of inertial numbers I. Second-order effects in strain rate, such as normal stress differences, require large system sizes to accurately extract meaningful results, notably a nonmonotonic dependence in the first normal stress difference with strain rate. The rheological response represented by the μ(I) scalar model works well at describing the lower-order aspects of the rheology, except near the quasistatic limit of these stress-controlled flows. The pressure is varied over five decades, and a pressure dependence of the coordination number is observed, which is not captured by the inertial number. Large fluctuations observed for small systems N≤1000 near the quasistatic limit can lead to the arrest of flow resulting in challenges to fitting the data to rheological relationships. The inertial number is also insufficient for capturing the pressure-dependent behavior of property fluctuations. Fluctuations in the flow and microstructural properties are measured in both the quasistatic and inertial regimes, including shear stress, pressure, strain rate, normal stress differences, volume fraction, coordination number, and contact fabric anisotropy. The fluctuations in flow properties scale self-similarly with pressure and system size. A transition in the scaling of fluctuations of stress properties and contact fabric anisotropy are measured and proposed as a quantitative identification of the transition from inertial to quasistatic flow.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Post-irradiation examination of legacy high burnup fuel to support safety testing

Safety/transient testing to evaluate performance under off-normal conditions is an essential pillar for both the development of Accident Tolerant Fuels (ATF) and the optimization of fuel operation economics beyond current discharge burnups. Among other factors, the successful interpretation of the transient testing results relies upon the knowledge of the initial conditions of the test, including the characteristics of the fuel system under scrutiny. When testing pre-irradiated material, the assumptions that the fuel and the cladding still have the same properties as in the pre-irradiation stage is obviously wrong and could affect the results of the test. This is particularly true the more burnup accumulates in the fuel rod and irradiation progresses. The knowledge of the initial microstructure of both fuel and cladding allows a clearer interpretation of the subsequent transient testing results, provides validation of the physical phenomena underlying the model predictions and eliminates the uncertainties related to the limited knowledge of the sample status before the test. One example is the phenomenon of fine fragmentation that occurs in Light Water reactor (LWR) fuel. During a Loss of Coolant Accident (LOCA) or Reactivity Initiated Transient (RIA) the fuel can severely fragment. During LOCA, high burnup fuel tend to finely fragment, which has raised safety concerns due to the increased likelihood of dispersal of such small particles once the cladding has burst and due to the increased fission gas release. Therefore, efforts have been devoted to the assessment of a pulverization threshold that could determine the conditions under which fine fragmentation is predominant. However, the lack of information regarding the initial conditions of the fuel, and the connections between those conditions and the pre-transient irradiation history, have hindered the development of a fully mechanistic fragmentation and pulverization criterion. The empirical relationships rely on conservative estimations, due to the lack of information on critical material properties and characteristics. More generally, experimental evidence of the irradiation-induced modifications at microstructural scale are necessary to determine the behavior of the material at the macroscopic scale, with the latter being the one of technological interest. Significant progress has been made in the last two decades in the developments of analytical materials science techniques that can be applied to highly radioactive materials, such as high burnup fuels. The availability of new techniques and the improvement of existing ones has enabled investigations previously not possible that can deepen the understanding of the fuel characteristics and properties at high burnup. The better knowledge of material behavior and irradiation-induced phenomena could help the prediction of its performance. In this context, the scope of the present work is to apply a wide portfolio of advanced characterization techniques to determine properties that are relevant for safety and performance. The results are interpreted in the context of engineering scale post-irradiation examinations and available information on the irradiation conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Process-dependent anisotropic thermal conductivity of laser powder bed fusion AlSi10Mg: impact of microstructure and aluminum-silicon interfaces

Purpose AlSi10Mg alloy is commonly used in laser powder bed fusion due to its printability, relatively high thermal conductivity, low density and good mechanical properties. However, the thermal conductivity of as-built materials as a function of processing (energy density, laser power, laser scanning speed, support structure) and build orientation, are not well explored in the literature. This study aims to elucidate the relationship between processing, microstructure, and thermal conductivity. Design/methodology/approach The thermal conductivity of laser powder bed fusion (L-PBF) AlSi10Mg samples are investigated by the flash diffusivity and frequency domain thermoreflectance (FDTR) techniques. Thermal conductivities are linked to the microstructure of L-PBF AlSi10Mg, which changes with processing conditions. The through-plane exceeded the in-plane thermal conductivity for all energy densities. A co-located thermal conductivity map by frequency domain thermoreflectance (FDTR) and crystallographic grain orientation map by electron backscattered diffraction (EBSD) was used to investigate the effect of microstructure on thermal conductivity. Findings The highest through-plane thermal conductivity (136 ± 2 W/m-K) was achieved at 59 J/mm 3 and exceeded the values reported previously. The in-plane thermal conductivity peaked at 117 ± 2 W/m-K at 50 J/mm 3 . The trend of thermal conductivity reducing with energy density at similar porosity was primarily due to the reduced grain size producing more Al-Si interfaces that pose thermal resistance. At these interfaces, thermal energy must convert from electrons in the aluminum to phonons in the silicon. The co-located thermal conductivity and crystallographic grain orientation maps confirmed that larger colonies of columnar grains have higher thermal conductivity compared to smaller columnar grains. Practical implications The thermal properties of AlSi10Mg are crucial to heat transfer applications including additively manufactured heatsinks, cold plates, vapor chambers, heat pipes, enclosures and heat exchangers. Additionally, thermal-based nondestructive testing methods require these properties for applications such as defect detection and simulation of L-PBF processes. Industrial standards for L-PBF processes and components can use the data for thermal applications. Originality/value To the best of the authors’ knowledge, this paper is the first to make coupled thermal conductivity maps that were matched to microstructure for L-PBF AlSi10Mg aluminum alloy. This was achieved by a unique in-house thermal conductivity mapping setup and relating the data to local SEM EBSD maps. This provides the first conclusive proof that larger grain sizes can achieve higher thermal conductivity for this processing method and material system. This study also shows that control of the solidification can result in higher thermal conductivity. It was also the first to find that the build substrate (with or without support) has a large effect on thermal conductivity.

Engineering↗
NASA NTRS1987

Mechanical properties and morphology of poly(etheretherKetone)

Mechanical properties and morphology of poly(etheretherketone) (PEEK) were studied for samples having different thermal histories. Isothermal and rate-dependent crystallization were studied to ascertain the relationship between crystallinity/morphology and processing condition. Degree of crystallinity and microstructure were controlled by cooling the melt at different rates, ranging from quenching to slowly cooling, and by annealing amorphous material above the glass transition temperature Tg. It is found that degree of crystallinity was not as important as processing history in determining the room temperature mechanical properties. Samples with the same degree of crystallinity had very different tensile properties, depending on rate of cooling from the melt. All samples yielded by shear band formation and necked down. Quenched films had the largest breaking strains, drawing to 270 percent. Slowly cooled films exhibited ductile failure at relatively low strains. Best combined mechanical properties were obtained from semicrystalline films cooled at intermediate rates from the melt.

Cebe, Peggy↗
DOE OSTI2024

A Novel Approach to Investigate Thermal Protection Systems Materials

The Koo Research Group (KRG) at The University of Texas at Austin (UT) and KAI has specialized in “Ablation Research” for more than fifteen years. Recently, the group has developed several incredibly unique capabilities that can advance “Thermal Protection Systems (TPS) Materials Research & Development” using an integrated experimental and numerical approach. The paper aims to introduce the methodology KRG has developed to solve this challenging problem. It will discuss how the KRG develops “Process-Properties-Performance” relationships of novel TPS materials in a systematical approach using (a) processing and fabrication, (b) thermal characterization of properties, (c) aerothermal testing, (d) microstructures characterization and analysis, and (e) numerical modeling. Progress and challenges of this research will also be discussed.

Engineering↗
DOE OSTI2025

Microstructure Scale Lithium-Ion Battery Modeling: Part III. When and Where Lithium Plating Occurs and its Correlation with the Electrode Microstructure

Li-ion battery performance and degradation are closely related to the cell’s underlying electrode microstructure. Electrode microstructures are typically characterized with volume-averaged properties that neglect the impact of local heterogeneities. However, local heterogeneities create hot spots that can trigger degradation onset. Herein, a microstructure scale electrochemical model is used to investigate the impact of microstructure heterogeneity on lithium plating. The model predicts lithium plating is not uniform, even when considering a relatively small portion of the electrode (a cross-sectional area of 154×144 µm 2 ), preferring to plate on larger particles as compared to smaller particles. While local heterogeneities control where plating occurs, the model predicts that volume-averaged properties control when plating occurs. Additionally, the model predicts that the active material specific surface area has a linear relationship with the plating onset. However, the linear relationship between increased active material surface area and delayed plating response appears to be sensitive to the microstructure feature used to increase the active interface area. Here, a comparative case-study is explored where the specific surface area is increased by either reducing the active material particle diameter, adding open-porosity cracks, or increasing the active material surface roughness. The model predicts that increasing the specific surface area by reducing the active material particle diameter is the most effective strategy for delaying lithium plating. At 6C, reducing particle size is shown to be 3 and 20 times more effective than, respectively, adding open-porosity cracks and increasing surface roughness. A dual-layer electrode architecture combining gradations both for average properties and uniformities is eventually proposed to improve homogeneous material utilization and reduce degradation at high charge rates.

25 ENERGY STORAGE↗
DOE OSTI2022

TopTemp: Parsing Precipitate Structure from Temper Topology

Technological advances are in part enabled by the development of novel manufacturing processes that give rise to new materials or material property improvements. Development and evaluation of new manufacturing methodologies is labor-, time-, and resource-intensive expensive due to complex, poorly defined relationships between advanced manufacturing process parameters and the resulting microstructures. In this work, we present a topological representation of temper (heat-treatment) dependent material micro-structure, as captured by scanning electron microscopy, called TopTemp. We show that this topological representation is able to support temper classification of microstructures in a data limited setting, generalizes well to previously unseen samples, is robust to image perturbations, and captures domain interpretable features. The presented work outperforms conventional deep learning baselines and is a first step towards improving understanding of process parameters and resulting material properties.

Kassab, Lara↗
DOE OSTI2022

Structure/property relationship of semicrystalline polymers during tensile deformation: a molecular dynamics approach

Molecular dynamics (MD) simulation with an ab initio numerical model is conducted to study the structure–property relationship of semicrystalline polymers during uniaxial deformation. The effects of chain length, temperature, and strain rate on mechanical properties are discussed. The influences of microstructural evolution such as bond length, entanglement density, and chain orientation are also studied quantitatively. The temperature will greatly affect the chain conformation in amorphous domains, and the results revealed that the interaction of amorphous and crystalline domains played a crucial role during stretching. Accordingly, the yielding of semicrystalline polymers follows different mechanisms at temperatures above and below T g . A melt-recrystallization scheme is observed during yielding at higher temperatures, while destruction of crystal structures is observed at lower temperatures at the yield point. The correlated effects of different temperatures and strain rates on mechanical properties are examined. This research is part of our efforts to develop a digital twin of a real experiment for efficient optimization of polymer material properties.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Discovery, Design, Synthesis and Testing of High Performance Structural Alloys (Final Technical Report)

The overarching goal of this project is to understand the phase stability and mechanical behavior of non-stoichiometric multi-principal element alloy (MPEA) materials. In order to identify suitable alloys, we plan to use a combinatorial thin film screening approach, in collaboration with scientists at Lawrence Berkeley National Laboratory who are performing computational work as well as complementary experimental work. Specific tasks within the scope of this project include the fabrication, using thin film deposition from six sputtering targets, of combinatorial samples with multi-dimensional gradients in composition and microstructure. These samples are studied to screen MPEA systems for promising candidate alloys with specific composition(s), based on characterization of composition, structure and mechanical behavior across the thin film. We want to produce single-phase MPEAs with chemical homogeneity in a given thin film region, simple grain structures, and no intermetallic phases present. Gradient films facilitate first-pass screening for desirable characteristics and inform the next stage of work that involves fabrication of bulk MPEA specimens for (tensile) mechanical testing and characterization. To make the bulk alloys, metal (elemental) pieces are melted to form MPEAs, followed by heat treatment to homogenize the composition and microstructure. A subset of alloys is also cast, using vacuum arc melting, to yield larger samples (diameter ~1 cm and length ~5-10 cm) and these allow us to assess viability of scale-up for the alloys in structural applications. Further processing plans include rolling and heat treatment to recrystallize selected bulk MPEAs and grow grains to different extents, in order to investigate size effects in the mechanical behavior of MPEAs. Microspecimen testing will be performed (primarily in tension) to assess the mechanical behavior over a range of temperatures. The deformation microstructure of mechanically tested alloys will be characterized using transmission electron microscopy (TEM) to provide a scientific basis for understanding the structure-property relationships in MPEA mechanical behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Establishing an acoustic-property relationship in laser powder bed fusion with machine learning

Quality control of Laser Powder Bed Fusion (PBF-LB) additively manufactured parts is an important hurdle inhibiting the technology’s use structural applications. Acoustic monitoring of the laser powder bed fusion process can detect defects in-situ that are known to degrade mechanical properties. However, processing-structure-property (PSP) relationships are required to extrapolate from detected defects to part performance. Here, this study explores how acoustics may be a suitable signature linking processing conditions to properties, thus effectively substituting for structure in the PSP relationship. Establishing such a relationship would enable a part’s mechanical performance to be directly predicted from its acoustic signature, reducing the need for destructive testing or microstructural analysis to ensure a part will meet performance requirements. One hundred CoCrFeMnNi high entropy alloy tensile bars were printed across 13 process conditions in a series of 6 prints. The acoustic signatures of these tensile bars were used to train machine learning models to predict each part’s mechanical properties. By using both process information and acoustic information to predict mechanical properties, yield strength was predicted 18% more accurately and ductility to failure was predicted 10% more accurately than is achieved when using duplicate parts to predict part performance. Finally, individual acoustic frequencies were investigated to determine why acoustic signatures improve mechanical property predictions and the potential physical origins of these signatures. This work demonstrates how blending acoustics, process information, and machine learning can provide in-situ diagnostics of mechanical properties and improve the reliability of the PBF-LB process.

Acoustic emission↗
NASA NTRS1985

Materials and techniques for model construction

The problems confronting the designer of models for cryogenic wind tunnel models are discussed with particular reference to the difficulties in obtaining appropriate data on the mechanical and physical properties of candidate materials and their fabrication technologies. The relationship between strength and toughness of alloys is discussed in the context of maximizing both and avoiding the problem of dimensional and microstructural instability. All major classes of materials used in model construction are considered in some detail and in the Appendix selected numerical data is given for the most relevant materials. The stepped-specimen program to investigate stress-induced dimensional changes in alloys is discussed in detail together with interpretation of the initial results. The methods used to bond model components are considered with particular reference to the selection of filler alloys and temperature cycles to avoid microstructural degradation and loss of mechanical properties.

Wigley, D. A.↗
NASA NTRS1985

Materials and techniques for model construction

The problems confronting the designer of models for cryogenic wind tunnel models are discussed with particular reference to the difficulties in obtaining appropriate data on the mechanical and physical properties of candidate materials and their fabrication technologies. The relationship between strength and toughness of alloys is discussed in the context of maximizing both and avoiding the problem of dimensional and microstructural instability. All major classes of materials used in model construction are considered in some detail and in the Appendix selected numerical data is given for the most relevant materials. The stepped-specimen program to investigate stress-induced dimensional changes in alloys is discussed in detail together with interpretation of the initial results. The methods used to bond model components are considered with particular reference to the selection of filler alloys and temperature cycles to avoid microstructural degradation and loss of mechanical properties.

Wigley, D. A.↗
DOE OSTI2022

Quality Control Metrics to Assess MoS2 Sputtered Films for Tribological Applications

Abstract Pure molybdenum disulfide (MoS 2 ) solid lubricant coatings could attain densities comparable to doped films (and the associated benefits to wear rate and environmental stability) through manipulation of the microstructure via deposition parameters. Unfortunately, pure films can exhibit highly variable microstructures and mechanical properties due to processes that are not controlled during deposition (i.e., batch-to-batch variation). This work focuses on developing a relationship between density, hardness, friction, and wear for pure sputtered MoS 2 coatings. Results show that dense films ( ρ = 4.5 g/cm 3 ) exhibit a 100 × lower wear rate compared to porous coatings ( ρ = 3.04–3.55 g/cm 3 ). The tribological performance of high density pure MoS 2 coatings is shown to surpass that of established composite coatings, achieving a wear rate 2 × ( k = 5.74 × 10 –8 mm 3 /Nm) lower than composite MoS 2 /Sb 2 O 3 /Au in inert environments.

Babuska, Tomas F.↗
DOE OSTI2023

Microstructure and Elevated Temperature Flexure Testing of Tungsten Produced by Electron Beam Additive Manufacturing

Abstract Due to their superior high-temperature thermomechanical capabilities, sputter erosion durability, and excellent resistance to hydrogen isotopes, tungsten materials have garnered significant interest in fusion nuclear applications. However, low room-temperature ductility and complex machining strategies present significant challenges for traditional fabrication. Electron beam powder bed fusion (EB-PBF) shows promise in manufacturing pure tungsten via high thermal energy input, elevated build temperature, and a tightly controlled high-vacuum environment. This work explores the process, structure, and property relationship of pure tungsten fabricated by EB-PBF, where 99.8% relative density was achieved with reduced cracking by isolating the build substrate and optimizing the print parameter suite. Optical and electron imaging revealed that the microstructure contained equiaxed grains along the build direction, with subgrains present in all inspected grains. Flexural testing at ambient and elevated temperatures demonstrated high ductility at 900°C and flexural strength of 470 MPa at room temperature of additively manufactured tungsten.

Zhang, Haozhi↗
DOE OSTI2024

Mesoscale modeling and semi-analytical approach for the microstructure-aware effective thermal conductivity of porous polygranular materials

Here we established a comprehensive modeling approach for investigating the microstructure-aware effective thermal conductivity ($κ_{eff}$) for porous microstructures containing solid particles and gaseous pores. Our approach combines the mesoscale computational modeling framework and the semi-analytical method, allowing for efficient prediction of $κ_{eff}$ for realistic porous microstructures, while considering complicated microstructural thermal conduction pathways effectively in the prediction. We used the diffuse-interface mesoscale computational model to generate extensive simulated $κ_{eff}$ data for realistic digital representations of microstructures with wide ranges of porosity ($f_p$), thermal conductivity of the gas phase ($κ_g$), and thermal conductivity of the solid phase ($κ_s$). From the simulated data, we identified two property variation regimes for $κ_{eff}$: (1) a slow $κ_{eff}$ increase for $κ_s ~ κ_g$; and (2) a faster $κ_{eff}$ increase for $κ_s \gg κ_g$. To capture the key features of the relationship between the microstructure and $κ_{eff}$, we derived a semi-analytical model by introducing structure and intensification factors. The two new factors incorporate the calibrated effective contribution of the solid volume with $κ_s$ and additional interfacial effects into the prediction of $κ_{eff}$, respectively, allowing for consideration of parallel, serial, and interfacial conduction mechanisms effectively. Using the selected simulation data, we quantified key model parameters within the semi-analytical model and verified that the parameterized model exhibits excellent agreement with simulated $κ_{eff}$ for the entire range of the parameter space.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Investigation of Raster Pattern Spacing and Direction for Friction Stir Additive Manufacturing of Al-5083

Friction stir additive manufacturing (FSAM) is a sheet-lamination based additive manufacturing technique. In addition to the traditional factors that govern the friction stir process-structure-property relationship, the processing history is convoluted by the in-plane raster pattern and repeated thermal cycling from subsequent layers. This can lead to complex thermal gradients within the workpiece and reprocessing of material. Here, this work aims to understand the impact of raster pattern spacing and direction on the microstructure and properties during friction stir additive manufacturing of Al-5083. Control of the raster spacing can lead to an increase in hardness of up to 18% from the base material and defect-free joining. These results are then directly demonstrated at the component-scale for FSAM of Al-5083.

36 MATERIALS SCIENCE↗