Computational Materials for Qualification and Certification of Process-Intensive Metallic Materials (CM4QC)
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This paper demonstrates and characterizes a simple ink for nanopatterning of solid metallic structures under ambient conditions by taking advantage of the low melting point of gallium and its affinity to form intermetallics with other metals. Bare copper micro- and nanoparticles readily mix with liquid gallium near room temperature to form a paste that ultimately amalgamates into a dense solid when mixed at the appropriate concentration ratios. The paste has sufficient shelf life that can be extruded from a nozzle at modest temperatures to form solid three-dimensional (3D) shapes. Additionally, the paste can be molded at room temperature to replicate feature sizes ranging from a few millimeters down to hundreds of nanometers. In situ X-ray diffraction (XRD) and thermo-mechanical analysis (TMA) data show gallium and copper readily interdiffuse to form the thermodynamically expected intermetallic phase. We describe the capabilities and limitations of a simple way to pattern solid metals in an additive fashion (syringe-based extrusion) and with high resolution (molding) at or near room temperature. Here, the use of a paste that solidifies provides a novel route for 3D printing of solid metals at ambient temperatures as well as the creation of micro- and nanostructured metallic surfaces that may be useful for optics, non-wetting surfaces, or electronic microcomponents.
Idaho National Laboratory initiated the examination of nickel-based alloys manufactured laser powder directed energy deposition additive manufacturing for potential applications in nuclear, high temperature structural components. With the rapid push towards additive manufacturing, codes do not exist that definitively define what is or is not tolerable for each process and application, such as with conventional, wrought products. This report contains the initial work to understand possible manufacturing methods for high temperature alloys, and specifically, void formation, microstructure evolution, and mechanical properties. To generate mechanical test data, specimens were tested irrespective of voids and microstructures were analyzed to better understand how to negate/improve these issues. The preliminary results showed major decreases in mechanical performance for material tested. Test specimens will continue to be produced to further improve additive manufacturing processes, quantify void acceptance, and better understand the most suitable high temperature alloys receptive to additive manufacturing and high temperature nuclear applications.
Unlike most anodes used in high energy density batteries, lithiated Si does not form long-lasting passivating solid-electrolyte interphases (SEI) during formation or on charge due to SEI delamination, reconstruction, or dissolution. As a result, electrolyte degradation is continuous and results in a permanent loss of the Li inventory, shortening the useful life of the battery. Here, in this study, we show that perfluoroether electrolyte additives featuring either sulfonyl fluorides or trifluorovinyl ethers, when introduced in prescribed amounts to locally superconcentrated electrolytes, exhibit preferential reactivity at Si during formation due to their higher reduction potential than salts and solvents, creating a hybrid SEI that is simultaneously enriched with LiF and organics tethered to the reactive functionality. While both reactive motifs are effective in creating a hybrid SEI, perfluoroether additives bearing sulfonyl fluorides show more substantial integration. More important, however, is the combined influence of additive topology on anchoring efficacy and tether flexibility between anchoring sites on SEI resiliency. Top-performing Si|LFP cells featuring ditopic additive-enriched SEI improve capacity retention by as much as 45% over 100 cycles when compared to additive-free cells.
This work describes the microstructural and elemental characterization of irradiated metallic fuels containing palladium as an additive. The use of additives has been proposed to control Fuel-Cladding Chemical Interaction (FCCI) and thus to promote higher fuel utilization (i.e., higher burnup). In this work, Pd has been investigated as a potential additive to metallic fuel to bind lanthanides, impeding their migration and attack on the cladding. The influence of Pd on the microstructure, chemistry and performance of metallic fuel has been characterized via scanning electron microscopy for two metallic fuel designs—namely, annular and solid fuel. Pd was observed to play an important role in the chemistry of the fuel. Indeed, the addition of Pd leads to the formation of new phases. Pd was detected to combine not only with the lanthanides, as intended, but also with Zr, a main element of the fuel matrix. While Pd proved to be effective in preventing lanthanide migration and their attack on the cladding, the Pd-Zr compound may potentially lead to other unexpected fuel-performance issues, such as the formation of low-melting point phases and increased unalloyed U available for FCCI interaction with Fe in the cladding. Even the increase of Zr to 13wt%. did not completely mitigate this adverse phenomenon generated by the Pd-Zr interaction. Furthermore, the efficacy of using this additive needs further investigation.
Modifying fossil-fueled industrial gas turbines to utilize low or zero-carbon fuels, such as hydrogen or hydrogen-natural gas blends, is a complex endeavor. The successful implementation of this technology hinges on three key design criteria: (1) developing new fuel injectors capable of efficiently burning alternative fuels, (2) ensuring manufacturability to meet cost and time-to-market goals, and (3) achieving component durability in the demanding environment of an operating gas turbine. Additive manufacturing (AM) accelerates product development, yet concerns persist regarding the durability of parts with rough AM surfaces. A fully experimental approach to quantify the fatigue performance of rough AM microstructures is both costly and labor-intensive. To address this, ORNL and Solar Turbines Incorporated (Solar) employed a crystal plasticity finite element (CPFE) model to identify the factors influencing AM surface fatigue behavior. These CPFE findings, combined with targeted experimental data, were used to develop a computationally efficient surrogate model suitable for assessing the lifespan of gas turbine engine components.
A recent study claims that corn used for ethanol should not be considered to be inherently biogenically carbon-neutral because not all that corn was grown additional to the level otherwise. By assessing the extent of carbon neutrality of corn for ethanol using the reference point baseline approach and historical data that study concluded that the carbon intensity of US corn ethanol is 27% higher than that of gasoline. We develop a framework to determine the carbon neutrality of corn for ethanol by assessing the additional carbon uptake by crops using an anticipated baseline approach. We also apply this framework to determine the additional corn produced for ethanol and include the direct life cycle carbon emissions of only that portion of corn in the direct life cycle carbon intensity of corn ethanol. We implement this framework by integrating an economic model of the agricultural sector in the USA with a biogenic carbon model and life cycle analysis to quantify biogenic carbon uptake and direct life cycle emissions with and without corn ethanol expansion over the 2007–2027 period. We find that the combined biogenic carbon emissions and direct life cycle carbon emission intensity of corn ethanol (not including indirect land use related emissions) is 21% lower than gasoline. In conclusion, the lower value of this carbon intensity of corn ethanol compared with gasoline is robust to a wide range of parametric assumptions.
a-Formamidinium lead iodide (a-FAPbI 3 ) is one of the most promising candidate materials for high-efficiency and thermally stable perovskite solar cells (PSCs) owing to its outstanding optoelectrical properties and high thermal stability. However, achieving a stable form of a-FAPbI 3 where both the composition and the phase are pure is very challenging. In this work, we report on a combined strategy of precursor engineering and grain anchoring to successfully prepare methylammonium (MA)-free and phase-pure stable a-FAPbI 3 films. The incorporation of volatile FA-based additives in the precursor solutions completely suppresses the formation of non-perovskite d-FAPbI 3 during film crystallization. Grains of the desired a-phase are anchored together and stabilized when 4-tert-butylbenzylammonium iodide is permeated into the a-FAPbI 3 film interior via grain boundaries. This cooperative scheme leads to a significantly increased efficiency close to 21% for FAPbI 3 perovskite solar cells. Moreover, the stabilized PSCs exhibit improved thermal stability and maintained ~90 % of their initial efficiency after storage at 50 degrees C for over 1600 hours.
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Maraging steels are known for their exceptional strength but suffer from limited work hardening and ductility. Here, in this study, we report an intermittent printing strategy to tailor the microstructure and mechanical properties of maraging 250 steel via tuning the thermal history during wire-arc directed energy deposition. By introducing a dwell time between adjacent layers, the maraging 250 steel is cooled below the martensite start temperature, triggering thermally-driven martensitic transformation during the printing process. Thermal cycling during subsequent layer deposition results in the formation of reverted austenite which shows a refined microstructure and induces elemental segregation between martensite and reverted austenite. The Ni enrichment in the austenite promotes stabilization of the reverted austenite upon cooling to room temperature. The reverted austenite is metastable during deformation, leading to strain-induced martensitic transformation under loading. Specifically, a 3 min interlayer dwell time produces a maraging 250 steel with approximately 8% reverted austenite, resulting in improved work hardening via martensitic transformation induced plasticity during deformation. Meanwhile, the higher cooling rate and refined prior austenite grains lead to substantially refined martensitic grains (by approximately fivefold) together with an increased dislocation density. With 3 min interlayer dwell time, the yield strength of the printed maraging 250 steel increases from 836 MPa to 990 MPa, and the uniform elongation is doubled from 3.2% to 6.5%. This intermittent deposition strategy demonstrates the potential to tune the microstructure of maraging steels for achieving strength-ductility synergy by engineering the thermal history during additive manufacturing.
We report a microfluidic-based droplet generation platform for synthesizing micron-sized porous carbon microspheres. The setup employs carbon materials such as graphite, carbon nanotubes, graphene, fullerenes, and carbon black as starting materials. Custom composition, structure, and function are achieved through combinations of carbon materials, cross-linkers, and additives along with variations in process parameters. Carbon materials can be assembled into spheres with a mean diameter of units to hundreds of μm with relatively tight size distribution (<25% RSD). Pore structure and size (tens to hundreds of angstrom) can be modulated by incorporating porogen/coporogen dilutants during synthesis. The microbeads have excellent mechanical stability with an elastic modulus of hundreds of MPa. They can sustain high dynamic fluid flow pressures of up to 9000 psi. This work lays the foundation for synthesizing novel tailorable and customizable carbon microbeads. It opens avenues for applying these novel materials for composite and additive manufacturing, energy, life science, and biomedical applications.
Decoupling of the subcloud layer in stratocumulus-topped marine boundary layers (STMBL) influences low-cloud cover by limiting the supply of water vapor from the surface. However, the relative importance of mixing between surface fluxes and other reservoirs of water vapor as a function of the degree of decoupling is poorly understood. Water vapor transport within the STMBL and its response to decoupling is explored using surface measurements of water vapor isotopic composition that were obtained from Graciosa Island, Azores, during the summer and fall of 2018. The data show an inverse relationship between the decoupling metric, Δq, and the degree of drying from an isotopically depleted water vapor source. The isotopic data require some degree of drying with an isotopically depleted source for coupled conditions, and likely require a small amount of mixing even for strongly decoupled conditions. The data are consistent with mixing between purely local reservoirs of water vapor, subjected to a small amount of condensation and fractionation, and do not require the invocation of large-scale transport of water vapor aloft or additional cloud-formation effects aloft.
Here, a new non-neutral generalized Ohm's law (GOL) model for atomic plasmas is presented. This model differs from previous models of this type in that quasi-neutrality is not assumed at any point. Collisional effects due to ionization, recombination, and elastic scattering are included, and an expression for the associated plasma conductivity is derived. An initial set of numerical simulations are considered that compare the GOL model to a two-fluid model in the ideal (collisionless) case. The results demonstrate that solutions obtained from the two models are essentially indistinguishable in most cases when the ion–electron mass ratio is within the range of physical values for atomic plasmas. Additionally, some limitations of the model are discussed.