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At least 325 records · Page 18

Multi-physics melt pool modeling and process optimization for laser direct energy deposition of Nb-based refractory C103: Defect formation, geometric precision, and process mapping

Recent developments in additive manufacturing (AM) technology have reignited interest in the fabrication of the Nb-based refractory C103 alloy offering solutions to the challenges posed by traditional manufacturing methods. However, the limited numerical and experimental studies on laser direct energy deposition (DED) of C103 have hindered the understanding of the relationships between process parameters and build quality. This has made it challenging to consistently produce parts with the desired quality and microstructure suitable for critical applications. In this study, we focus on optimizing the laser DED process for C103 by employing a hybrid approach that combines experimental techniques and computational fluid dynamics (CFD). This approach facilitates the development of process maps for defect detection and geometric precision. To achieve this, multi-layer C103 samples were fabricated using laser DED under various process parameters, enabling the creation of a process map for defect detection. Additionally, a multi-physics, multiphase simulation framework was developed within a high-performance computing (HPC) environment to establish process maps for geometric precision. Using these process maps, printability windows were identified for achieving both the desired geometric accuracy and defect-free prints. It was observed that prints with a power-to-velocity (P/V) ratio close to unity resulted in defect-free outcomes. This study provides a foundation for reducing design lead time and rejected parts, ultimately optimizing the laser DED process for C103.

Defect formation and geometric precision↗

Io - A surface evaporite deposit

A model is suggested for Io's surface composition involving evaporite salt deposits, rich in sodium and sulfur. According to this model, these deposits were produced as a result of the migration of salt-saturated aqueous solutions to Io's surface from a warm or hot interior followed by loss of the water to space. This model satisfies cosmochemical constraints based on Io's initial composition, current density, and thermal history. Salt-rich assemblages are easily derivable from the leaching of carbonaceous chondritic material. The chemical and optical properties of such deposits, after modification by irradiation, can be used to explain Io's overall albedo and spectral reflectance, its dark reddish poles, and the observed sodium emission as well as or better than other currently suggested materials.

Fanale, F. P.↗

Solving multiple scattering problems in planetary atmospheres

Definitions are provided of the basic concepts occurring in the solution of multiple scattering problems involving planetary atmospheres and attention is given to aspects of problem characterization. Approaches are considered for finding the answer to a particular problem without the performance of detailed calculations. The characteristics of albedos are investigated, taking into account semiinfinite atmospheres and finite atmospheres. Questions of surface illumination are discussed along with aspects related to energy deposition in the atmosphere, intensity, and polarization. Precise numerical methods are examined and analytical solutions are presented.

Irvine, W. M.↗

Part-body and multibody effects on absorption of radio-frequency electromagnetic energy by animals and by models of man

Fine structure in the whole-body resonant curve for radio-frequency energy deposition in man can be attributed to part-body resonances. As for head resonance, which occurs near 350 MHz in man, the absorptive cross section is nearly three times the physical cross section of the head. The arm has a prominent resonance at 150 MHz. Numerical solutions, antenna theory, and experimental results on animals have shown that whole-body energy deposition may be increased by 50 percent or more because of multiple bodies that are strategically located in the field. Empirical equations for SARs are also presented along with test data for several species of laboratory animals. Barbiturate anesthesia is sufficiently disruptive of thermoregulation that delta Ts of colonic temperature yield energy dose values in several mammals that compare quite favorably with those based on whole-body calorimetry.

Gandhi, O. P.↗

Modeling of non-equilibrium partitioning in direct metal deposited copper–iron concentrated alloys

The direct metal deposition (DMD) additive manufacturing process produces high cooling rates within a small melt pool and can lead to high amounts of solute trapping. These high cooling rates limit diffusion and lead to the formation of non-equilibrium phases. In this work, we utilize a numerical model to calculate the degree of solute trapping, defined as non-equilibrium partitioning. A theoretical case with overall composition fixed to 50Cu-50Fe at.%. was performed to observe the influence of increasing solidification rates. We then simulate DMD of equimolar Cu-Fe powder printed on mild steel substrate and the calculated non-equilibrium phase compositions were consistent with experimental observations reported earlier on this alloy composition. For a single deposited track, cooling rates are high enough to yield significant solute trapping. Here, the degree of solute trapping is highest near the free surface and has a gradient that correlates with the cooling rate gradient.

36 MATERIALS SCIENCE↗

Deposition of Na2SO4 from salt-seeded combustion gases of a high velocity burner rig

With a view to developing simulation criteria for the laboratory testing of high-temperature materials for gas turbine engines, the deposition rates of sodium sulfate from sodium salt-seeded combustion gases were determined experimentally using a well instrumented high-velocity burner. In the experiments, Na2SO4, NaCl, NaNO3, and simulated sea salt solutions were injected into the combustor of the Mach 0.3 burner rig operating at constant fuel/air ratios. The deposits formed on an inert rotating collector were then weighed and analyzed. The experimental results are compared to Rosner's vapor diffusion theory. Some additional test results, including droplet size distribution of an atomized salt spray, are used in interpreting the deposition rate data.

Santoro, G. J.↗

Solution-phase p-type doping of highly enriched semiconducting single-walled carbon nanotubes for thermoelectric thin films

Single-walled carbon nanotubes (SWCNTs) are attractive materials for next-generation energy-harvesting technologies, including thermoelectric generators, due to their tunable opto-electronic properties and high charge carrier mobilities. Controlling the Fermi level within these unique 1D nanomaterials is often afforded by charge transfer interactions between SWCNTs and electron or hole accepting species. Conventional methods to dope SWCNT networks typically involve the diffusion of molecular redox dopant species into solid-state thin films, but solution-phase doping could potentially provide routes and/or benefits for charge carrier transport, scalability, and stability. Here, we develop a methodology for solution-phase doping of polymer-wrapped, highly enriched semiconducting SWCNTs using a p-type charge transfer dopant, F4TCNQ. This allows doped SWCNT inks to be cast into thin films without the need for additional post-deposition doping treatments. We demonstrate that the introduction of the dopant at varying stages of the SWCNT dispersion process impacts the ultimate thermoelectric performance and observe that the dopant alters the polymer selectivity for semiconducting vs metallic SWCNTs. In contrast to dense semiconducting polymer films, where solution-phase doping typically leads to disrupted morphologies and poorer TE performance than solid-state doping, thin films of solution-doped s-SWCNTs perform similarly to their solid-state doped counterparts. Interestingly, our results also suggest that solution-phase F4TCNQ doping leads to fully ionized and dimerized F4TCNQ anions in solid-state films that are not observed in films doped with F4TCNQ after deposition. Our results provide a framework for the application of solution-phase doping to a broad array of high-performance SWCNT-based thermoelectric materials and devices that may require high-throughput deposition techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

GAMSOR: Gamma Source Preparation and DIF3D Flux Solution (Rev. 2)

Nuclear reactors that rely upon the fission reaction have two modes of thermal energy deposition in the reactor system: neutron absorption and gamma absorption. The gamma rays are typically generated by neutron capture reactions or during the fission process which means the primary driver of energy production is of course the neutron interaction. In conventional reactor physics methods, the gamma heating component is ignored such that the gamma absorption is forced to occur at the gamma emission site. For experimental reactor systems like EBR-II and FFTF, the placement of structural pins and assemblies internal to the core leads to problems with power heating predictions because there is no fission power source internal to the assembly to dictate a spatial distribution of the power.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Nanocrystal‐Enabled Perovskite Heterojunctions in Photovoltaic Applications and Beyond

Abstract Heterojunctions are used to tailor the properties of semiconductors in optoelectronic devices, yet for emerging devices composed of metal halide perovskites, fabricating perovskite/perovskite heterojunctions has proved challenging due to solvent incompatibilities and rapid homogenization due to ion migration. Recent studies have demonstrated various strategies for using perovskite nanocrystals as a component to fabricate perovskite/perovskite heterojunctions, either with a perovskite thin film or a second nanocrystal layer. Heterojunctions such as these can impart many advantages of both bulk and nanocrystalline perovskite morphologies. This perspective focuses on recent developments of solution‐processed perovskite heterojunctions for solar cells and novel optoelectronic devices, in particular, highlighting the demonstrated and potential advantages of nanocrystal‐enabled fabrication strategies. A central tenet of this perspective is that the synthesis and dispersion of perovskite nanocrystals in non‐polar organic solvents offers a key processing advantage over traditional perovskite precursor solutions in polar solvents since the former allows for layer‐by‐layer deposition without dissolving an underlying perovskite film or crystal. This processing advantage, coupled with nanocrystal size control and ligand chemistry, enables perovskite heterojunctions with highly tunable optical and electrical properties. Such heterojunctions may enable disruptive technological advances in broad classes of devices such as solar cells, photodetectors, sensors, and (in)coherent photon sources with tunable polarization.

14 SOLAR ENERGY↗

A suberized exodermis is required for tomato drought tolerance

Plant roots integrate environmental signals with development using exquisite spatiotemporal control. This is apparent in the deposition of suberin, an apoplastic diffusion barrier, which regulates flow of water, solutes and gases, and is environmentally plastic. Suberin is considered a hallmark of endodermal differentiation but is absent in the tomato endodermis. Instead, suberin is present in the exodermis, a cell type that is absent in the model organism Arabidopsis thaliana. Here we demonstrate that the suberin regulatory network has the same parts driving suberin production in the tomato exodermis and the Arabidopsis endodermis. Despite this co-option of network components, the network has undergone rewiring to drive distinct spatial expression and with distinct contributions of specific genes. Functional genetic analyses of the tomato MYB92 transcription factor and ASFT enzyme demonstrate the importance of exodermal suberin for a plant water-deficit response and that the exodermal barrier serves an equivalent function to that of the endodermis and can act in its place.

59 BASIC BIOLOGICAL SCIENCES↗

Precipitation Efficiency in the Tropical Deep Convective Regime

Precipitation efficiency in the tropical deep convective regime is analyzed based on a 2-D cloud resolving simulation. The cloud resolving model is forced by the large-scale vertical velocity and zonal wind and large-scale horizontal advections derived from TOGA COARE for a 20-day period. Precipitation efficiency may be defined as a ratio of surface rain rate to sum of surface evaporation and moisture convergence (LSPE) or a ratio of surface rain rate to sum of condensation and deposition rates of supersaturated vapor (CMPE). Moisture budget shows that the atmosphere is moistened (dryed) when the LSPE is less (more) than 100 %. The LSPE could be larger than 100 % for strong convection. This indicates that the drying processes should be included in cumulus parameterization to avoid moisture bias. Statistical analysis shows that the sum of the condensation and deposition rates is bout 80 % of the sum of the surface evaporation rate and moisture convergence, which ads to proportional relation between the two efficiencies when both efficiencies are less han 100 %. The CMPE increases with increasing mass-weighted mean temperature and creasing surface rain rate. This suggests that precipitation is more efficient for warm environment and strong convection. Approximate balance of rates among the condensation, deposition, rain, and the raindrop evaporation is used to derive an analytical solution of the CMPE.

Li, Xiaofan↗

Conversion Coatings for Aluminum Alloys by Chemical Vapor Deposition Mechanisms

With the rise of environmental awareness and the renewed importance of environmentally friendly processes, the United States Environmental Protection Agency has targeted surface pre-treatment processes based on chromates. Indeed, this process has been subject to regulations under the Clean Water Act as well as other environmental initiatives, and there is today a marked movement to phase the process out in the near future. Therefore, there is a clear need for new advances in coating technology that could provide practical options for replacing present industrial practices. Depending on the final application, such coatings might be required to be resistant to corrosion, act as chemically resistant coatings, or both. This research examined a chemical vapor deposition (CVD) mechanism to deposit uniform conversion coatings onto aluminum alloy substrates. Robust protocols based on solutions of aryl phosphate ester and multi-oxide conversion coating (submicron) films were successfully grown onto the aluminum alloy samples. These films were characterized by X-ray Photoelectron Spectroscopy (XPS). Preliminary results indicate the potential of this technology to replace aqueous-based chromate processes.

Reye, John T.↗

Cases for Additive Manufacturing on the International Space Station

There are thousands of plastic or non-structural metal components on the International Space Station (ISS), any of which could require replacing sometime between resupply missions. While these may not be life critical, it can cause significant delays to flight projects that have to wait several weeks to months to receive a key part one that could have been designed and built on-board the ISS within a few hours. A plastic deposition additive manufacturing process is a low-energy, low-mass solution to many common needs on board the ISS.

Cooper, Kenneth G.↗

ZnCr and ZnNb Cold Spray Coatings

Novel cold spray zinc-based alloy coatings have been investigated for corrosion protection of API 5L low carbon steel pipelines used in transporting natural gas. These different zinc alloy coatings are designed for use to help prevent internal corrosion and improve the lifespan of steel pipelines via sacrificial anodic protection. The corrosion behavior of these cold deposited zinc alloy coatings was investigated in CO2 saturated 3.5 wt.% NaCl solutions under simulated natural gas pipeline conditions. Electrochemical tests were conducted at 25 and 40 °C to determine the polarization resistance and galvanic current between each coating and the steel substrate in the galvanic couple. Tests were conducted at atmospheric, 1 bar, pressure. The results indicate that use of these coatings has the potential to increase the lifespan of steel pipelines above what a zinc coating alone could provide.

Teeter, Lucas↗

Extended Finite Element Based Approach in Additive Manufacturing Modeling for Optimizing Highly Complex Manifold in Protonic Ceramic Electrochemical Cells

The objective of this project is to develop a novel numerical approach based on the extended finite element method (XFEM) for modeling moving boundaries of material deposited in additive manufacturing (AM) process with improved accuracy and reduced computational cost. One of the major challenges in simulating AM processes is that the boundaries of the computational domain need to change as material is deposited. Previous approaches have achieved this by activating new finite elements, but this requires a high level of mesh refinement to capture small movement of the boundary. XFEM allows the solution boundary to move independently of the mesh, permitting smooth representation of the evolution of the boundary as material is deposited. As a result, this new method will significantly improve the simulation accuracy while reducing the computational cost compared with existing approaches. Furthermore, this project will bring significant improvements for the design and AM process optimization in an iterative fashion among numerical simuation, parameter optimization, and experimental validation. Specifically, this project will support the protonic ceramic electrochemical cells (PCEC) stack development at INL by providing insights into the density, residual stress, thermal and mechanical properties of the PCEC manifold and interconnect, which is critical in enhancing the system lifetime and reducing the overall cost. Upon the success of proposed development and validation of the proposed approach, simulation will be applied to determine an optimal set of AM process parameters for the PCEC manifold production. This project will consolidate Idaho National Laboratory (INL)’s simulation capabilities provided by the MOOSE framework and the Valhalla AM simulation application, with encouraging expansion to emerging PCEC applications and AM technologies at INL and beyond.

97 MATHEMATICS AND COMPUTING↗

A Scalable Solution Route to Porous Networks of Nanostructured Black Tungsten

This paper studied the feasibility of a new solution-processed method to manufacture black tungsten nanostructures by laser conversion of tungsten hexacarbonyl precursor on the Inconel 625 substrate under argon atmosphere at ambient pressure. The results show that sublimation of the precursor can be prevented if the decomposition temperature (>170 °C) is achieved using the laser heating method. Three different laser powers from 60–400 W were used to investigate the role of laser parameters on the conversion. It was found that lower laser power of 60 W resulted in a mixture of unconverted precursor and converted tungsten. Higher laser powers >200 W resulted in α-W (BCC) in one step without further heat treatment. Different oxygen concentrations from 0.5 ppm to 21 vol% were used in the laser canister to investigate the effect of oxygen concentration on the conversion. It was found that the hard vacuum (>10−4 torr) or hydrogen is not necessary to obtain α-W (BCC). The solar absorptance varied from 63–97%, depending on the amount of precursor deposited on the substrate and oxygen content in the laser canister. This solution-based laser conversion of tungsten precursor is a scalable method to manufacture tungsten coatings for high-temperature applications.

14 SOLAR ENERGY↗

Stability of aqueous neodymium complexes in carbonate-bearing solutions from 100–600 °C

Rare earth element exploration requires a quantitative understanding of factors governing their mobilization and economic concentration. However, the behavior of rare earth elements in carbonate- bearing hydrothermal fluids associated with carbonatite-hosted deposits is poorly understood, and conflicting mechanisms of rare earth transport by anionic ligands and alkali behavior have been described. Here, we report quantitative data to characterize the role of carbonate-bearing solutions in the hydrothermal mobilization of neodymium. Solubility studies of neodymium phosphate were performed at temperatures ranging from 100 to 600 °C in carbonate-bearing solutions. The thermodynamic data determined for the predominant complex were used to model the separation of neodymium from thorium in a simple flow-through system based on fluid and mineral compositions characteristic of carbonatite deposits. Our data suggest that neodymium transport is controlled by the stability of the carbonate species NdCO 3 OH o , and at temperatures of 500–600 °C, the concentrations of neodymium in solutions can reach ~1000 ppm.

58 GEOSCIENCES↗

Solution‐Processed Spin‐Polarized Light‐Emitting Diodes of Colloidal Quantum Wells and Magnetic Nanoparticles

Electrical injection of spin-polarized carriers into semiconductors enables circularly-polarized emission from spin-polarized light-emitting diodes (spin-LEDs). The incredible level of tunability of magnetic and electronic properties in colloidal nanocrystals offers unprecedented opportunities for the modulation of polarization of light in solution-processed spin-LEDs based on magnetic nanoparticles unlike epitaxially grown spin-LEDs restricted by a very limited range of materials for their exploitation, and solution-processed spin-LEDs based on chiral molecules, which do not allow the modulation of polarization in general. Here, it is shown that electrical injection of spin-polarized electrons from magnetic Fe 3 O 4 nanoparticles into CdSe/CdZnS core/shell colloidal quantum wells (CQWs) in solution-processed LEDs that allows for polarization modulation of electroluminescence. In this structure, a monolayer of face-down oriented CQWs is deposited as an active layer to avoid polarization losses due to the hopping of the electrons between the CQWs before the radiative recombination process. In this solution-processed spin-LED, the circular polarization reaches 4.5% at 3 K and survives up to 100 K. A net circular polarization is observed at zero magnetic field up to 100 K because of the remnant magnetization of the Fe 3 O 4 nanoparticles. This new colloidal spin-LED architecture presents significant prospects for future solution-processed advanced opto-spintronic devices.

circularly polarized electroluminescence↗