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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Evolution of Inclusions During the 1473 K (1200 °C) Heating Process of EH36 Shipbuilding Steel

Evolution behaviors of inclusions of EH36 shipbuilding steel during 1473 K (1200 °C) heating have been studied in conjunction with ex situ scanning electron microscope (SEM) examination and in situ confocal scanning laser microscopy (CSLM) observations. It has been found that Al-Ca-O-S complex inclusions dominate the particles in the cast billet. However, TiN inclusions are profusely populated after heating. Moreover, possible strategies governing austenite growth are offered here.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Formation Mechanism of Oxide-Sulfide Complex Inclusions in High-Sulfur-Containing Steel Melts

The [S] content in resulfurized steel is controlled in the range of 200 to 800 ppm to ensure good machinability and workability. It is well known that “MgAl{sub 2}O{sub 4}(spinel)+CaS” complex inclusions are formed in molten steel during the ladle refining process, and these cause nozzle clogging during continuous casting. Thus, in the present study, the “Refractory-Slag-Metal-Inclusions (ReSMI)” multiphase reaction model was employed in conjunction with experiments to investigate the influence of slag composition and [S] content in the steel on the formation of oxide-sulfide complex inclusions. The critical [S] and [Al] contents necessary for the precipitation of CaS in the CaO-Al{sub 2}O{sub 3}-MgO-SiO{sub 2} (CAMS) oxide inclusions were predicted from the composition of the liquid inclusions, as observed by scanning electron microscopy–electron dispersive spectrometry (SEM-EDS) and calculated using the ReSMI multiphase reaction model. The critical [S] content increases with increasing content of SiO{sub 2} in the slag at a given [Al] content. Formation mechanisms for spinel+CaS and spinel+MnS complex inclusions were also proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microstructure Characterization of Fiber Laser Welds of S690QL High-Strength Steels

The use of fiber laser welding to join S690QL steels has attracted interest in the field of construction and assembly. Herein, 13-mm-thick S690QL welded joints were obtained without filler materials using the fiber laser. The as-welded microstructures and the impact energies of the joints were characterized and measured using electron microscopy in conjunction with high-resolution transmission electron images, X-ray diffraction, and impact tests. The results indicated that a single-sided welding technique could be used to join S690QL steels up to a thickness of 12 mm (fail to fuse the joint in the root) when the laser power is equal to 12 kW (scan speed 1 m/min). Double-side welding technique allows better weld penetration and better control of heat distribution. Observation of the samples showed that the fusion zone exhibited bainitic and martensitic microstructures with increased amounts of martensites (Ms) compared with the base materials. Also, the grains in the fusion zone increased in coarseness as the heat input was increased. The fusion zone exhibited increased hardness (397 HV{sub 0.2}) while exhibiting a simultaneous decrease in the impact toughness. The maximum impact energy value of 26 J was obtained from the single-side-welded sample, which is greater than those obtained from the double-side-welded samples (maximum of 18 J). Many more dislocations and plastic deformations were found in the fusion zone than the heat-affected zone in the joint, which hardened the joints and lowered the impact toughness. The microstructures characterized by FTEM–energy-dispersive X-ray spectrometer also exhibited laths of M, as well as stacking faults and dislocations featuring high-density, interfacial structure ledges that occur between the high-angle grain boundaries and the M and bainite.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Synergistic Effect of Nitrogen and Refractory Material on TiN Formation and Equiaxed Grain Structure of Ferritic Stainless Steel

The effect of nitrogen content on the formation of an equiaxed solidification structure of Fe-16Cr steel was investigated. Moreover, two different kinds of refractory materials, i.e., alumina and magnesia, were employed to control the type of oxide inclusion. The characteristics of TiN(-oxide) inclusions were quantitatively analyzed in both molten steel and solidified samples. When the melting was carried out in the alumina refractory, the grain size continuously decreased with increasing nitrogen content. However, a minimum grain size was observed at a specific nitrogen content (approx. 150 ppm) when the steel was melted in the magnesia refractory. Most of the single TiN particles had a cuboidal shape and fine irregularly shaped particles were located along the grain boundary due to the microsegregation of Ti at the grain boundary during solidification. The type of TiN-oxide hybrid inclusion was strongly affected by the refractory material where Al{sub 2}O{sub 3}-TiN and MgAl{sub 2}O{sub 4}-TiN hybrid-type inclusions were obtained in the alumina and magnesia refractory experiments, respectively. The formation of oxide inclusions was well predicted by thermochemical computations and it was commonly found that oxide particles were initially formed, followed by the nucleation and growth of TiN. When the nitrogen content increased, the number density of TiN linearly increased in the alumina refractory experiments. However, the number of TiN exhibits a maximum at about [N] = 150 ppm, at which a minimum grain size was obtained in the magnesia refractory experiments. Therefore, the larger the number density of TiN, the smaller the primary grain size after solidification. The number density of TiN in the steel melted in the magnesia refractory was greater than that in the steel melted in the alumina refractory at given Ti and N contents, which was due to the lower planar lattice disregistry of MgAl{sub 2}O{sub 4}-TiN interface rather than that of Al{sub 2}O{sub 3}-TiN interface. When ∆T{sub TiN} (= difference between the TiN precipitation temperature and the liquidus of the steel) was 20 K to 40 K, the number density of effective TiN was maximized and thus, the grain size was minimized after solidification. Finally, although most of the TiN particles were smaller than 1 μm in the molten steel samples irrespective of the nitrogen content, TiN particles larger than 10 μm were observed in the solidified samples when the nitrogen content was greater than 150 ppm. The growth of TiN particles during melting and solidification was well predicted by the combinatorial simulation of the ‘Ostwald ripening model’ based on the Lifshitz–Slyozov–Wagner theory in conjunction with the ‘Diffusion controlled model’ using Ohnaka’s microsegregation equation.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effects of Nozzle Radial Position, Separation Angle, and Gas Flow Partitioning on the Mixing, Eye Area, and Wall Shear Stress in Ladles Fitted with Dual Plugs

Mixing time, slag eye area, and wall shear stress in a ladle fitted with dual plugs have been studied as a function of operating variables, namely, gas flow rate, radial nozzle position, separation angle between nozzles and flow rate partitioning. While the mixing time and slag eye area have been experimentally investigated in a scaled water model (with and without a top slag layer), the shear stress on the vessel wall has been studied computationally via a RANS-based turbulent, three-dimensional coupled Eulerian–Lagrangian (VOF-DPM), multiphase flow model. Experimental and computational results have indicated that the mixing, eye area, and wall shear stress depend on the gas flow rate, i.e., while mixing efficiency increases with the increasing gas flow rate, the slag eye area, and wall shear stress, in contrast, become more pronounced with the increasing gas flow, leading to an undesirable operating regime. The radial nozzle position, separation angle between the nozzles and flow rate partitioning at any given flow rate also influence the ladle process performance, influencing the mixing, eye area, and wall shear stress, albeit to a varied degree. Within the range of operating conditions studied, an expected inverse correspondence between mixing time and shear behavior was observed. Experimental and computational results in conjunction have indicated that the best arrangement of porous plugs or gas injection nozzles for superior ladle process performance is dependent on the gas flow rate and is specific to the desired objective (i.e., decreasing the mixing time, or slag eye area and wall shear stress). Hence, a unique gas injection practice cannot and should not be suggested as the optimum for ladle metallurgy in steelmaking. Nevertheless, if the mixing time is the parameter of primary interest, a nozzle configuration with equal flow partitioning (1:1) between the nozzles and identical nozzle radial positions (0.7R/0.7R, 45 deg) should suffice for both low and high gas flow rates. In contrast, a nonidentical nozzle radial position (0.7R/0.5R, 90 deg) and an unequal gas flow rate per nozzle (1:3) appear preferable if both ladle eye and shear stresses, rather than mixing, are the issues of concern.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Influence of Temperature on Reaction Mechanism of Ilmenite Ore Smelting for Titanium Production

The carbothermic smelting reduction process of ilmenite ore at high temperature was investigated by thermodynamic calculations in conjunction with smelting experiments. Based on thermodynamic calculations, conducting the smelting process at a higher temperature was recommended to achieve a larger amount of FeO reduction, i.e., higher Ti-enrichment, as less precipitate and thus large amounts of a liquid slag were predicted. However, even though the reduction of FeO in ilmenite ore at the initial stage seemed to be faster as the temperature increased, no significant difference in the TiO{sub 2} or FeO concentration was observed after the reaction was complete, regardless of the temperature. This was caused by the precipitation of pseudobrookite due to the local depletion of FeO during reaction at higher temperatures, by which further reduction reaction was prohibited. The apparent rate constant increased with increasing temperature and the activation energy of the reduction process was estimated to be 144 kJ/mol, from which it was concluded that the reduction reaction of FeO in ilmenite slag by carbonaceous reductant was generally controlled through the mass transfer in the slag phase. Additionally, the formation of TiC also occurred in the iron bath. At 1923 K (1650 °C), approx. 20 pct more TiC was generated as compared to TiC formation at 1823 K (1550 °C), which also prevented further reduction of Fe at higher temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Processing Parameter Effects on Residual Stress and Mechanical Properties of Selective Laser Melted Ti6Al4V

Selective laser melting (SLM) process is characterized by large temperature gradients resulting in high levels of residual stress within the additively manufactured metallic structure. SLM-processed Ti6Al4V yields a martensitic microstructure due to the rapid solidification and results in a ductility generally lower than a hot working equivalent. Post-process heat treatments can be applied to SLM components to remove in-built residual stress and improve ductility. Residual stress buildup and the mechanical properties of SLM parts can be controlled by varying the SLM process parameters. This investigation studies the effect of layer thickness on residual stress and mechanical properties of SLM Ti6Al4V parts. This is the first-of-its kind study on the effect of varying power and exposure in conjunction with keeping the energy density constant on residual stress and mechanical properties of SLM Ti6Al4V components. It was found that decreasing power and increasing exposure for the same energy density lowered the residual stress and improved the % elongation of SLM Ti6Al4V parts. Increasing layer thickness resulted in lowering the residual stress at the detriment of mechanical properties. The study is based on detailed experimental analysis along with finite element simulation of the process using ABAQUS to understand the underlying physics of the process.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of Combined Rolling–ECAP on Ultrafine-Grained Structure and Properties in 6063 Al Alloy

Grain structure and mechanical properties of 6063 Al alloy subjected to one, two and three passes via combined rolling–ECAP at room temperature were investigated. The yield strength (196 MPa) and tensile strength (242 MPa) after three passes increased by 3.7 times and three times, respectively, relative to the initial annealed alloy (YS: 53 MPa, UTS: 82 MPa). Heat treatment comprising homogenizing annealing (600 °C, 15 min), water quenching from 520 °C and reheating to 100 °C before each pass led to ultrafine grains (600-800 nm) and high yield strength (245 MPa) and tensile strength (277 MPa). The three-pass combined rolling–ECAP process in conjunction with a suitable heat treatment is an effective way to form UFG structure and improved mechanical properties in 6063 Al alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Microstructure Evolution and Stress Corrosion Cracking Susceptibility of 12Cr Martensitic Steel Upon Long-Term Service in Power Plants

After 230,000-h long-term service at 550 °C/13.7 MPa, the microstructure of a kind of 12Cr martensitic steel was investigated using scanning electron microscopy, backscattering electron microscope and x-ray diffraction analysis. The results show that the precipitation and coarsening of carbides at grain/lath boundaries are the main cause of microstructure degradation. The static immersion tests and the slow strain rate test coupled with electrochemical impedance spectroscopy were conducted on the served steel in 1.0% NaCl solution, and it turns out that the pitting corrosion resistance and repassivation ability of the steel are significantly reduced as a result of microstructure degradation. The stress corrosion cracking susceptibility of the steel was also studied. Fracture morphology analysis shows that the secondary crack in conjunction with slip lines is a result of the coalescence of micro-cracks nucleated from the pits.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Strength Variation in Processing Multiport Extrusion Tubes of A1100 and A3102 Alloys

The manufacturing process of multiport extrusion tubes generally includes homogenization, extrusion, roll leveling and heat treatment. In order to investigate the influence of the manufacturing procedures on strength variation of multiport extrusion tubes made of A1100 and A3102 alloys, the tube fabrication experiments and following materials characterization are carried out. The alloys’ stress–strain curves after every processing procedure are measured, and pressure-bearing capacity of the tubes is tested. The tubes’ strength and pressure-bearing capacity reach the peak values after straightening process and drop to the minimum after annealing. The contributions of solid solution hardening, grain boundary hardening and constituent particle strengthening to yield strength are evaluated. It is deduced that cluster hardening is the dominant strengthening mechanism for the as-homogenized and as-extruded samples; the contribution of clusters is second to work hardening after straightening process; slight cold work in conjunction with high-temperature annealing accelerates abnormal grain growth. The loss of strength increment from clusters can be interpreted by the remarkable reduction of high-angle grain boundaries after abnormal grain growth.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Investigating the Interaction Between Circulating Tumor Cells and Local Hydrodynamics via Experiment and Simulations

Introduction: The biological and mechanical properties of circulating tumor cells (CTCs) in combination with the hemodynamics affect the preference of metastatic sites in the vasculature. Despite the extensive literature on the effects of biological properties on cell adhesion, the effects of hydrodynamic forces on primary attachment remains an active area of research. Here, using simulations in conjunction with experimentation, we provide new insight into the interplay of CTCs dynamics and local hydrodynamics. Methods: A flow experiment of CTC attachment was performed within a bioprinted, double branching endothelialized vessel. Simulations of fluid flow and CTC transport in the reconstructed and idealized bifurcated vessel were respectively performed by HARVEY, our in-house massively parallel computational fluid dynamics solver. HARVEY is based on the lattice Boltzmann and finite element methods to model the fluid and cells dynamics. The immersed boundary method is employed for resolving the fluid–structure interaction. Results: CTC attachment was quantified experimentally at all regions of the complex vessel. The results demonstrate a clear preference for CTCs to attach at the branch points. To elucidate the effect of the vessel topology on the location of attachment, a fluid-only simulation was performed assessing the differences in the hydrodynamics along the vessel. CTC transport in idealized bifurcated vessels was subsequently studied to examine the effects of cell deformability on the local hydrodynamics patterns and, thus, the preference of attachment sites. Conclusions: The current work provides evidence on the correlation of the hydrodynamics forces arising from the vessel topology and CTC properties on the attachment regions.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Theoretical investigations of electrical transport properties in CoSb3 skutterudites under hydrostatic loadings

We report that CoSb 3 -based skutterudites have been a benchmark mid-temperature thermoelectric material under intensive experimental and theoretical studies for decades. Doping and filling, to the first order, alter the crystal lattice constant of CoSb 3 in the context of “chemical pressure.” In this work, we employed ab initio density functional theory in conjunction with semiclassical Boltzmann transport theory to investigate the mechanical properties and especially how hydrostatic loadings, i.e., “physical pressure,” impact the electronic band structure, Seebeck coefficient, and power factor of pristine CoSb 3 . It is found that hydrostatic pressure enlarges the band gap, suppresses the density of states (DOS) near the valence band edge, and fosters the band convergence between the valley bands and the conduction band minimum (CBM). By contrast, hydrostatic tensile reduces the band gap, increases the DOS near the valence band edge, and diminishes the valley bands near the CBM. Therefore, applying hydrostatic pressure provides an alternative avenue for achieving band convergence to improve thermoelectric properties of N-type CoSb 3 , which is further supported by our carrier concentration studies. Lastly, these results provide valuable insight into the further improvement of thermoelectric performance of CoSb 3 -based skutterudites via a synergy of physical and chemical pressures.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Co-adsorption of O{sub 2} and C{sub 2}H{sub 4} on a Free Gold Dimer Probed via Infrared Photodissociation Spectroscopy

Infrared multiple photon dissociation (IR-MPD) spectroscopy in conjunction with density functional theory (DFT) calculations has been employed to study the activation of molecular oxygen and ethylene co-adsorbed on a free gold dimer cation Au{sub 2}{sup +}. Both studied complexes, Au{sub 2}O{sub 2}(C{sub 2}H{sub 4}){sup +} and Au{sub 2}O{sub 2}(C{sub 2}H{sub 4}){sub 2}{sup +}, show distinct features of both intact O{sub 2} and ethylene co-adsorbed on the cluster. However, the ethylene C=C double bond is activated, increasing in length by up to 0.07 Å compared with the free molecule, and the red shift of the O–O vibration frequency increases with the number of adsorbed ethylene molecules, indicating a small but increasing activation of the O–O bond. The small O{sub 2} activation and the rather weak interaction between O{sub 2} and C{sub 2}H{sub 4} are also reflected in the calculated electronic structure of the co-adsorption complexes which shows only a small occupation of the empty anti-bonding O{sub 2} 2π{sup *}{sub 2p} orbital as well as the localization of most of the Kohn–Sham orbitals on O{sub 2} and C{sub 2}H{sub 4}, respectively, with only limited mixing between O{sub 2} and C{sub 2}H{sub 4} orbitals. The results are compared with theoretical studies on neutral Au{sub x}O{sub 2}(C{sub 2}H{sub 4}) (x = 3, 5, 7, 9) complexes. .

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Numerical simulations of chaotic and complex spatiotemporal patterns in fractional reaction–diffusion systems

The generalized fractional reaction–diffusion equations which exist in the form of noninteger order partial differential equations have now found wide application for illustrating important and useful physical phenomena, such as subdiffusive and superdiffusive scenarios. The space fractional derivatives are defined in the Riesz sense on the intervals 0 < α < 1 and 1 < α ≤ 2. We propose robust numerical techniques, such as a spectral representation of the fractional Laplacian operator in conjunction with the exponential time differencing method, and present the equivalent relationship between the Riesz fractional derivative and fractional Laplacian operator. We apply these techniques to numerically solve a range of chaotic processes, such as the Chua’s equations, Rössler system, Lorenz and Lorenz-type systems. Simulation results revealed various complex and spatiotemporal chaos, spiral chaos, intermittent chaos and spots patterns in two-dimensional space fractional reaction–diffusion problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Modeling the diffusion of heat energy within composites of homogeneous materials using the uncertainty principle

The goal of this paper is to develop a highly accurate and efficient numerical method for the solution of a time-dependent partial differential equation with a piecewise constant coefficient, on a finite interval with periodic boundary conditions. The resulting algorithm can be used, for example, to model the diffusion of heat energy in one space dimension, in the case where the spatial domain represents a medium consisting of two homogeneous materials. The resulting model has, to our knowledge, not yet been solved in closed form through analytical methods, and is difficult to solve using existing numerical methods, thus suggesting an alternative approach. The approach presented in this paper is to represent the solution as a linear combination of wave functions that change frequencies at the interfaces between different materials. It is demonstrated through numerical experiments that using the Uncertainty Principle to construct a basis of such functions, in conjunction with a spectral method, a mathematical model for heat diffusion through different materials can be solved much more efficiently than with conventional time-stepping methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

A MUSCL-SCNI approach for meshfree modeling of shock waves in fluids

Here, a stable and nodally integrated meshfree formulation for modeling shock waves in fluids is developed. The reproducing kernel approximation is employed to discretize the conservation equations for compressible flow, and a flux vector splitting approach is applied to allow proper numerical treatments for the advection and pressure parts, respectively, based on the characteristics of each flux term. To capture the essential shock physics in fluids, including the Rankine–Hugoniot jump conditions and the entropy condition, local Riemann enrichment is introduced under the stabilized conforming nodal integration (SCNI) framework. Meanwhile, numerical instabilities associated with the advection flux are eliminated by adopting a modified upwind scheme. To further enhance accuracy, a MUSCL-type method is introduced in conjunction with an oscillation limiter to avoid Gibbs phenomenon and ensure monotonic piecewise linear reconstruction in the smooth region. The present meshfree formulation is free from tunable artificial parameters and is capable of capturing shock and rarefaction waves without over/undershoots. Finally, several numerical examples are analyzed to demonstrate the effectiveness of the proposed MUSCL-SCNI approach in meshfree modeling of complex shock phenomena, including shock diffraction, shock–vortex interaction, and high energy explosion processes.

42 ENGINEERING↗
DOE OSTI2024

A Method for Dynamic Kolsky Bar Compression at High Temperatures: Application to Ti-6Al-4V

Abstract An experimental apparatus for measuring the dynamic behavior of materials subjected to strain rates on the order of 10 $$^3$$ 3 s $$^{-1}$$ - 1 and temperatures up to 800°C with a unique triple actuation system is developed in this work. This system is based on the traditional Kolsky (or split-Hopkinson pressure) bar design, with the addition of an external furnace used to heat the specimen to the desired temperature. A synchronized triple pneumatic actuation system is used to control the motion and timing of the the sample, incident, and transmitted bars. The cold contact time (CCT), or the time during which the heated sample is in contact with the room temperature bars before compression, is measured experimentally and carefully controlled to minimize the development of a temperature gradient across the sample and avoid heating of the bars. Experiments are performed in conjunction with ultra high speed imaging and 2D digital image correlation (DIC), as well as high speed thermal imaging. To verify the viability of the proposed system, experiments were conducted on Ti-6Al-4V (wt.%) at temperatures from 25°C up to and 800°C at an average strain rate of approximately 1200 s $$^{-1}$$ - 1 .

36 MATERIALS SCIENCE↗