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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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Control of High-Temperature Static and Transient Thermomechanical Behavior of SiMo Ductile Iron by Al Alloying

Abstract Silicon and molybdenum ( SiMo ) ductile iron is commonly used for exhaust manifolds because these components experience thermal cycling in oxidizing environment, which requires resistance to fatigue during transient thermomechanical loads. Previous studies have demonstrated that alloying elements, such as Al , to SiMo ductile iron reduces the amount of surface degradation during static high-temperature exposure. However, deterioration of sphericity of the graphite nodules and a decrease in ductility could affect the tendency of cracking during thermal cycling. In this article, the effect of Al alloying on static and transient thermomechanical behavior of SiMo ductile iron was investigated to optimize the amount of Al alloying. A thermodynamic approach was used to confirm the effect of the Al alloying on the phase transformations in two SiMo cast irons, alloyed by 1.8% Al and 3% Al . These two alloys were cast in a laboratory along with the baseline SiMo ductile iron. Several experimental methods were used to evaluate the dimensional stability, physical properties, static oxidation, and failure resistance during constrained thermal cycling testing to compare their high-temperature capability. Experimental results verified that Al alloying increases the temperature range and decreases volume change during eutectoid transformation, which together with enhancement of oxidation protection improved the dimensional stability. Thermocycling tests showed that the number of cycles to failure depends on the amount of Al alloying and the applied high-temperature exposure during each cycle. SEM/EDX, high-resolution TEM and µCT analysis were used to verify the mechanism resulting from the Al alloying protection. It was shown that an optimal level of Al alloying for balancing oxidation and thermal cracking resistance depends on thermomechanical conditions of application.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multi-physics Peridynamic Modeling of Damage Processes in Protective Coatings

Protective coatings can revolutionize the aerospace industry by providing a way to build a fuel-efficient and low-emission gas turbine engine operating at elevated temperature. Currently, significant challenges persist in the multi-physics modeling of damage processes in protective coatings exposed to the hot corrosive environment of gas turbine engine. Examples of such detrimental processes include an interface damage between different material layers forming protective coating, a formation of the through-the-thickness vertical cracks, a diffusion of oxygen and moisture through those cracks, an oxidation, and a delamination. In this paper, a feasibility of a multi-physics peridynamic model to provide insight to these detrimental processes has been demonstrated. 3-Dimensional peridynamic equations which are valid everywhere, including dynamically evolving discontinuities, have been presented. In conclusion, validation and demonstration have been shown for conduction heat transfer, reactive oxidation, and delamination of protective coating with a composition borrowed from the open literature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Characteristics and mechanisms of hydrogen-induced quasi-cleavage fracture of lath martensitic steel

Here this study presents an in-depth characterization of the microstructures, crystallographic orientations, and dislocation characteristics beneath hydrogen-induced quasi-cleavage fracture features of an as-quenched, lath martensitic (α') 22MnB5 steel. The fracture surfaces of gaseous hydrogen-embrittled martensitic specimens were analyzed by a combination of multiple analytical tools: scanning electron microscopy (SEM), electron backscatter diffraction (EBSD), transmission electron microscopy (TEM), and transmission Kikuchi diffraction (TKD). The dominant fracture mode in the hydrogen-affected zones was quasi-cleavage fracture, which involved significant plasticity, evidenced by plastic zones near tear ridges and a high density of dislocations beneath the quasi-cleavage facets. The martensite constituent sizes, variant orientations, and boundaries influenced the quasi-cleavage surface morphologies. Fractography revealed the occurrence of {100} α' -type cleavage across martensitic laths, developing relatively “flat” quasi-cleavage surfaces, in addition to {110} α' -type cracking likely along lath and block boundaries, and fracture along non-cleavage planes. The likelihood of the formation of the relatively “flat” quasi-cleavage surfaces increased with increasing martensitic constituent sizes. Substantial dislocation bands formed on intersecting {112} α' slip planes within a martensite block below the hydrogen-induced cleavage fractures on {100} α' planes. River markings on the quasi-cleavage surfaces were found to originate from the complex, hierarchical lath martensitic microstructure. Steps and ridges on the quasi-cleavage facets generally linked with the various martensitic boundaries, suggesting that they were produced as a result of crack deviations at those boundaries. The fracture paths and martensite quasi-cleavage mechanisms are discussed in the context of the role of hydrogen and Cottrell cleavage model.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Flaw-insensitive fracture of a micrometer-sized brittle metallic glass

Brittle materials, such as oxide glasses, are usually very sensitive to flaws, giving rise to a macroscopic fracture strength that is much lower than that predicted by theory. The same applies to metallic glasses (MGs), with the important difference that these glasses can exhibit certain plastic strain prior to catastrophic failure. Here we consider the strongest metallic alloy known, a ternary Co 55 Ta10B 35 MG. In this work, we show that this macroscopically brittle glass is flaw-insensitive at the micrometer scale. This discovery emerges when testing pre-cracked specimens with self-similar geometries, where the fracture stress does not decrease with increasing pre-crack size. The fracture toughness of this ultra-strong glassy alloy is further shown to increase with increasing sample size. Both these findings deviate from our classical understanding of fracture mechanics, and are attributed to a transition from toughness-controlled to strength-controlled fracture below a critical sample size.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Simulated effects of sample size and grain neighborhood on the modeling of extreme value fatigue response

Assessing the size of representative volume elements (RVEs) for fatigue-related applications is challenging. A RVE relevant to random microstructure requires a volume of material that is sufficiently large to capture the grain/phase heterogeneity that captures all statistical moments of the distribution of the driving force for fatigue crack formation at “hot spot” grains. Consequently, the large size of a microstructure RVE required to study fatigue phenomena is largely computationally intractable and difficult to explore. A more realistic objective in this work is to systematically study, as a function of the size of a statistical sample of microstructure, trends towards convergence of the simulated distribution of driving force for fatigue crack formation. Our present work accordingly leverages the recently developed open-source PRISMS-Fatigue framework to examine the trends in convergence of extreme value distributions (EVD) of Fatigue Indicator Parameters (FIPs) in progressively larger polycrystalline microstructure realizations of FCC Al alloy 7075-T6 using crystal plasticity finite element method simulations. The results are compared to the traditional method in which ensembles of statistical volume elements (SVEs) are simulated to build up statistics intended to approximate those associated with a larger volume of material. The convergence of EVDs with increase of size of a SVE of microstructure is closely related to the extent of grain nearest neighbor (NN) interactions. Accordingly, the sensitivity of the local micromechanical response at hot spot grains is quantitatively investigated by systematically varying the orientations of NN grains. Results indicate that SVEs with cubic crystallographic texture tend towards convergence of the EVD of FIPs with tens of thousands of grains while the random and rolled textures require larger volumes. Simple relationships based on microstructure parameters (e.g., Schmid Factor, grain size, NN misorientation) do not completely correlate to fatigue hot spot grains. Finally, the sensitivity of the extreme value fatigue response at hot spot grains extends to the 3rd NN when a single neighborhood grain orientation is altered.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Laser powder bed fusion of Inconel 718 on 316 stainless steel

The joining of Inconel 718 and 316 stainless steel has notable industrial importance. However, traditional arc-welding has many issues. In particular, the formation of the detrimental Nb-rich Laves phase in the heat affected zone can promote crack initiation and propagation, which leads to poor mechanical properties. The small heat input and the rapid solidification of laser powder bed fusion (PBF) has the potential to suppress this problem. Despite the infancy of the multi-material PBF, it is of interest to investigate the relationship among the process parameter, the microstructure at the materials joining point, and the mechanical performance. In this study, we used high-speed x-ray imaging to in-situ monitor the printing of Inconel 718 tracks on a 316H SS substrate via laser powder bed fusion, followed by post-build characterization and testing with SEM, XRD and nanoindentation. We observed that a higher linear energy density resulted in a more diffused interface and a smaller compositional gradient, but as a trade-off, generated more keyhole pores and thermal cracks. Furthermore, we also showed that the built layer exhibited chemical inhomogeneity at two length scales: a tens-of-mu m-scale compositional vortex due to the melt flow, and a sub-mu m-scale Nb-rich dendritic structure due to the non-equilibrium solidification that led to the formation of the Laves phase. It was inferred that the chemical inhomogeneity may benefit the mechanical properties at the interface by providing more interlocking between the two materials and also by limiting the effect of the brittle Laves phase to potentially short range.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Deformation and fracture behavior of a laser powder bed fusion processed stainless steel: In situ synchrotron x-ray computed microtomography study

Tensile plastic deformation and fracture behavior of a laser powder bed fusion processed 316L stainless steel alloy was investigated in situ using high-resolution synchrotron x-ray computed microtomography (sXCT). Three different cases were studied: (1) specimen A1, near full-density with initial porosity of 0.04%, (2) specimen B1, initial lack-of-fusion (LOF) porosity of about 3% with the major axis of defects aligned nearly perpendicular to the tensile loading direction (LD), and (3) specimen B, similar to B1 but with the major axis of LOF defects aligned nearly parallel to LD. The effects of type, density, and orientation of defects in as-printed samples on plastic deformation and failure modes were studied by analyzing sXCT image sequences and quantitative defect properties. Specifically, the evolutions of porosity, size, aspect ratio, and angle of gas pores and LOF defects were characterized as a function of applied strain. Moreover, interactions between as-printed defects and deformation-induced crack propagation were investigated. The tensile behavior of specimen A1 was comparable to that of a commercial wrought plate. Furthermore, the quantitative in-situ sXCT results showed a void-growth phenomenon in A1 but without noticeable coalescence, resulting in a ductile cup-cone failure. Specimen B1 showed damage-driven brittle failure with limited plasticity due to early and rapid propagation of open voids. On the other hand, specimen B, with a similar amount of LOF defects as B1, showed deceivingly strong and ductile tensile behavior similar to A1 without any major crack propagations due to the favorable orientation relationship between LOF defects and the LD.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Additively manufactured Al-Ce-Ni-Mn alloy with improved elevated-temperature fatigue resistance

Here, the high cycle fatigue behavior of an additively manufactured (AM) Al-10.5Ce-3.1Ni-1.2Mn wt% alloy was evaluated at 350 °C. The measured fatigue strength of 50 MPa at this temperature is comparable to the most fatigue resistant wrought Al alloys (2618-T6 and 7079-T6) at 315 °C. Refinement of pore populations through advanced AM processing in the examined alloy led to oxide inclusions becoming dominant fatigue crack initiation sites. The distribution of microstructural features that determine crack initiation was measured by X-ray computed tomography and served as input to make fatigue strength model predictions with various methodologies. A Monte-Carlo based approach that was previously applied to predict the fatigue strength of cast aluminum alloys through pore size distributions yielded accurate predictions for the fatigue strength of this AM alloy. Given the tunability of defect distributions in AM alloys, the sensitivity of the Al-Ce-Ni-Mn alloy fatigue behavior to defect distributions and outstanding elevated-temperature fatigue resistance of this alloy; the results together suggest the possibility of a new generation of fatigue-resistant alloys produced by the additive manufacturing route.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Influence of build direction on the fracture mechanism of 3D printed octet lattices

Here, we investigate the effects of 3D printing build directions on the fracture properties of octet lattice metamaterials made of polylactic acid (PLA) and how these effects vary with the relative density of the lattices. Single-edge notch bend samples are 3D printed in two orthogonal build directions at various relative densities. Our results show that the work of fracture for octet lattices with build directions parallel to the crack plane is significantly higher than those with build directions perpendicular to the crack plane. We also observed that the ratio of specific work of fracture between the two build directions remains nearly constant across different relative densities. In contrast, the ratio of peak load between the two build directions decreases as relative density increases. Furthermore, the build direction dictates the fracture mechanism. While the perpendicular build direction predominantly results in a brittle (mode I) fracture, the parallel build direction leads to a complex, delamination-dominated (mode II type) fracture. This phenomenon is largely governed by the weak interfaces formed between the printed layers and their interaction with the lattice geometry. These results reveal that the build direction governs the fracture mechanism and work of fracture of these lattice metamaterials and is therefore an important design consideration.

3D printed PLA↗
DOE OSTI2025

Impact of droplet oxidation on mechanical properties of an Al-7Si-0.4Mg alloy fabricated with liquid metal jetting

Droplet-on-demand liquid metal jetting (DOD-LMJ) is a new method for additive manufacturing of bulk structural alloys. Here, we report on the microstructure, tensile, and fatigue properties of an Al-7Si-0.4Mg (A356) alloy fabricated with LMJ. Liquid metal droplets were shielded by high-purity Ar gas shroud during deposition. Atom probe tomography revealed that a few nanometers thick (Al-Mg-Si)-O oxide film formed on the droplets despite Ar gas shielding. Tensile tests on peak-aged LMJ A356 alloy showed that yield strength was isotropic (250 MPa), but ductility was lower in the build direction (6.1 ± 1.4 %) compared to the transverse direction (9.4 ± 1.0 %). Lower ductility in the build direction was attributed to delamination of metal-oxide interfaces at layer boundaries. The ductility and yield strength of LMJ A356 were similar to cast A356 and laser powder bed fused (LPBF) A357 alloys, indicating the limited impact of oxide film on tensile properties. The oxide film severely impacted the fatigue properties. Fatigue resistance of LMJ A356 was limited by fatigue crack initiation at lack-of-fusion defects and fatigue crack propagation along layer boundaries by delamination of the metal-oxide interface. The fatigue strength of LMJ A356 at 60 MPa was lower than cast A356 and LPBF A357 alloys in the peak-aged condition. This research underscores the need for managing droplet oxidation during LMJ additive manufacturing of structural alloys.

42 ENGINEERING↗
DOE OSTI2023

Effects of Cr/Zircaloy-4 coating qualities for enhanced accident tolerant fuel cladding

Cr-coated zirconium alloys represent a modern approach to enhance cladding safety during accident scenarios. Two high-power impulse magnetron sputtered Cr-coated Zry-4 systems were subjected to simulated loss-of-coolant accident conditions to investigate cladding performance. The first Cr-coating (4.8 µm thick) was deposited onto Zry-4 cladding and exhibited through-thickness cracking while the second Cr-coating (6.8 µm thick) was deposited with improved deposition parameters onto polished Zry-4 and exhibited no cracking. During burst testing, the coating with a higher density of defects failed to consistently reduce oxidation and exhibited similar burst behavior as Zry-4. In contrast, the second Cr-coating reduced ZrO 2 formation through formation of Cr 2 O 3 and displayed enhanced burst temperatures by ~80 °C compared to Zry-4. Utilizing an empirical relation for burst behavior of zirconium alloys, the 6.8 µm Cr/Zry-4 system displayed enhanced burst temperatures equivalent to an effective 0.464 mm increase in Zry-4 wall thickness, highlighting the value of continuous Cr coatings for accident scenarios.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Single pot catalyst strategy to branched products via adhesive isomerization and hydrocracking of polyethylene over platinum tungstated zirconia

Hydrocracking is an insufficiently explored route for chemical recycling of plastics waste. Platinum tungstated zirconia (Pt-WZr) was used in a batch reactor at low temperatures of 250 °C and 30 bar H 2 pressure for 1-24 h reaction times using low-density polyethylene (LDPE, M w ~76 kDa). We find Pt-WZr is a bifunctional catalyst for LDPE hydrocracking leading to higher value branched fuel- and lubricant-ranged alkanes. Here we demonstrate that the catalyst metal-to-acid site molar ratio (MAB) shifts the product distribution to larger cracked products and increases the isomerization degree in the residual polymer. We propose a new adhesive isomerization mechanism between the metal and Brønsted acid sites in parallel with slow polymer chain cracking, caused by competitive adsorption of the polymer over the liquid products and stereochemical hindrance of methines. This study provides a blueprint on how to engineer effective catalysts for hydrocracking polyolefin plastic wastes using the MAB as a catalyst descriptor.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Expanding the horizon of bio-naphtha beyond gasoline blend: property characterization and conversion opportunity assessment through technoeconomic and life-cycle analyses

Bio-naphtha, a common by-product of biorefineries, is expected to experience substantial growth in supply due to increasing demands for renewable diesel and synthetic aviation fuel (SAF). However, demand for bio-naphtha itself as a gasoline blendstock is limited because of the electrification of light-duty vehicles. This work investigated valorization opportunities for bio-naphtha from catalytic fast pyrolysis, hydrothermal liquefaction, Fischer–Tropsch synthesis, and hydrotreated esters and fatty acids pathways. These opportunities include producing polymer-grade olefin via steam cracking, SAF via steam cracking followed by olefin oligomerization, and renewable aromatics benzene, toluene, and xylene (BTX) and hydrogen via catalytic reforming. Process models were developed in Aspen Plus V14 and Aspen HYSYS V14 to calculate the mass and energy balances for each conversion step. Technoeconomic assessment and life-cycle analysis were conducted to evaluate the minimum fuel/product selling price, conversion cost, and life-cycle CO2 equivalent (CO2e) emission reduction. Technoeconomic assessment results suggest a minimum fuel/product selling price as low as $1.9/kg of olefins, $6.30/gal of gasoline-equivalent SAF, and $1.2/kg of BTX without any incentives. For all pathways, these prices are dominated by bio-naphtha feedstock costs, which account for at least 76% of the total cost. Compared with petroleum baselines, bio-naphtha-derived SAF, olefins, and BTX can achieve significant CO2e emission reductions from the use of renewable carbon resources. The results of life-cycle analysis and subsequent technoeconomic assessment, incorporating carbon credits, indicate the economic viability of using bio-naphtha for polymer-grade olefin and BTX production, with product costs comparable to market prices.

Xu, Shuang↗
DOE OSTI2021

Oxidation behaviors of matrix-grade graphite during water vapor ingress accidents for high temperature gas-cooled reactors

Water ingress into cores of high temperature gas-cooled reactors (HTGRs) can cause serious safety problems in graphitic components, especially for matrix graphite, which is more vulnerable than nuclear graphite. Here in this study, oxidation behaviors of a matrix-grade graphite, ARB-B1, were investigated under simulated water ingress accidental conditions. The oxidation tests were conducted in water vapor/helium mixed atmospheres at elevated temperatures up to 1200 °C. Oxidation rates and activation energy were evaluated by mass loss measurements. The activation energy was 121.5 kJ/mol in the considered temperature range, indicating only one oxidation regime-in-pore diffusion assisted by cracks. The cracks originated from the fabrication process, acting as penetration paths for the oxidant, played an important role in the oxidation behaviors. Ungraphitized binder oxidation occurred at all temperatures, while apparent oxidation of filler particles started from 1100 °C. Moreover, oxidation effects on compressive properties and hardness of the matrix graphite were discussed in terms of oxidized microstructures. This first detailed study on matrix graphite oxidation in water vapor provides important kinetics knowledge and microstructural and mechanical data for accidental scenarios of HTGRs as well as for development of new matrix graphite materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Mesophase pitch-based high performance carbon fiber production using coal extracts from mild direct coal liquefaction

Mild direct coal liquefaction (autogenous pressure, no catalyst, no H2 gas) of Springfield coal in fluid catalytic cracking decant oil is shown to effectively produce coal extract precursors to spinnable mesophase pitch. Here this work demonstrates that the coal extract can be thermally treated to obtain mesophase pitch in a facile one-step process, bypassing the production of an intermediate isotropic pitch. Furthermore, the presence of 25 wt.% coal in the initial slurry can increase the yield to mesophase pitch nearly twofold and yield to carbon fiber by approximately 70%. The coal extract-derived mesophase pitch was melt-spun and heat treated to produce carbon fiber with graphitic texture, high modulus (>400 GPa) and tensile strength up to 943 MPa. Overall, this work demonstrates that coal can be effectively utilized to markedly amplify the mesophase pitch and carbon fiber yield from fluid catalytic cracking decant oil by relatively simple processing, while conserving utility as a precursor to high performance carbon fiber and potentially other high value graphitic products.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Numerical modeling of chemical looping oxidative dehydrogenation of ethane in parallel packed beds

Chemical looping oxidative dehydrogenation (CL-ODH) of ethane has the potential to be a highly efficient alternative to steam cracking for ethylene production. Accurate reactor modeling is of critical importance to efficiently scale up and optimize this new technology. This study reports a one-dimensional, heterogeneous packed bed model to simulate the CL-ODH of ethane to ethylene with a Na 2 MoO 4 -promoted CaTi 0.1 Mn 0.9 O 3 redox catalyst. Here, the overall reaction kinetics was well-described by coupling the gas-phase steam cracking of ethane with the reduction kinetics of the redox catalyst by H 2 and C 2 H 4 . The impact of H 2 on the formation rate of CO 2 byproduct from C 2 H 4 conversion was also thoroughly investigated to validate the applicability of the kinetic model under operational environments. The temperature variation within the different CL-ODH steps and the temperature distribution along the bed were also carefully considered. The accuracy of the model was validated by experiments conducted in a large lab-scale packed bed reactor (200 g catalyst loading), with an average deviation of 2.8% in terms of ethane conversion and ethylene yield. The model was subsequently used to optimize the operating parameters of the CL-ODH reactor, indicating that up to 63.7% single-pass C 2 +olefin yield can be achieved with the current redox catalyst bed whereas further optimization of the redox catalyst to inhibit C 2 H 4 activation can result in 69.4% single-pass C 2 +yield while maintaining low CO 2 selectivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Polymer-cement composites with adhesion and re-adhesion (healing) to casing capability for geothermal wellbore applications

Deterioration of cement/casing adhesion in wellbore scenarios can result in unwanted and potentially harmful leakage with the potential of serious repair costs. In this work, we explore the use of self-healing polymers added to conventional wellbore cements as a way to bring about self-healing and readhering (to steel casing) properties to the composite material. The polymers are pH resistant and seem to improve the cement integrity after exposure to typical chemical and thermal stresses encountered under geothermal wellbore conditions. We find that addition of about 10-15 wt% of polymer to the cement visually increases its resistance to fracturing from exposure to geothermal conditions, while the adhesive strength of cement/stainless steel increases with curing time for a period of about 10 days. Self-healing capability was demonstrated by permeability analysis showing that polymer-cement composites reduce flow by 50-70% at cement bulk and at the cement/steel interface. Use of atomistic simulations imply that these polymers have good wetting properties on the steel surfaces. Analysis of the interactions between steel/polymer and cement/polymer show that they are complementary, resulting in a wider range of bonding patterns. Cracks are likely to expose under-coordinated sites that result in more bonding interactions, which agrees well with the permeability measurements showing high degree of healed cracks and healed (cement-steel) interfacial gaps together with an overall increased in structural integrity of these advanced polymer-cement composite materials.

Rod, Kenton A.↗