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At least 127 records · Page 7

Solidification and grain formation in alloys: a 2D application of the grand-potential-based phase-field approach

Solidification is a significant step in the forming of crystalline structures during various manufacturing and material processing techniques. Solidification characteristics and the microstructures formed during the process dictate the properties and performance of the materials. Hence, understanding how the process conditions relate to various microstructure formations is paramount. In this work, a grand-potential-based multi-phase, multi-component, multi-order-parameter phase-field model is used to demonstrate the solidification of alloys in 2D. This model has several key advantages over other multi-phase models such as it decouples the bulk energy from the interfacial energy, removes the constraints for the phase concentration variable, and prevents spurious third-phase formation at the two phase interfaces. Here, the model is implemented in a finite-element-based phase-field modeling code. The role of various modeling parameters in governing the solidification rate and the shape of the solidified structure is evaluated. It is demonstrated that the process conditions such as temperature gradient, thermal diffusion, cooling rate, etc, influence the solidification characteristics by altering the level of undercooling. Furthermore, the capability of the model to capture directional solidification and polycrystalline structure formation exhibiting various grain shapes is illustrated. In both these cases, the process conditions have been related to the growth rate and associated shape of the dendritic structure. As a result, this work serves as a stepping stone towards resolving the larger problem of understanding the process–structure–property–performance correlation in solidified materials.

36 MATERIALS SCIENCE↗

Pronghorn

Pronghorn is designed as a multi-dimensional coarse-mesh conjugate heat transfer simulator (tightly coupled fluid and solid phase heat transfer) for nuclear reactor core applications. Pronghorn’s design philosophy of is that: 1. The tool will be agnostic of reactor concept, including VHTRs, SFRs, FHRs, and LWRs. 2. Must be higher fidelity than traditional nuclear systems/safety analysis (0D-1D). 3. Avoid lower-length scale phenomena, such as boundary layer theory, i.e., rely on closure relations. 4. Apply mixture theory (homogenization) wherever possible. 5. Conserve mass and energy (solve all physics on single mesh). 6. Must be easily coupled to both MOOSE-based and external physics applications. 7. Does not require a super computer. Thus, Pronghorn’s algorithmic philosophy is to resolve large scale flow features and model lower-length scale phenomena, such as boundary layers. The coarse mesh approach for lower-length scale modeling is to develop a multi-component multi-phase homogenization of solid and liquid phases into a mixture formulation inside a finite element. For example, a pebble bed core is represented as a two-phase mixture of coolant and fuel pebbles, where the fuel phase is stationary. Thus, the solid phase exerts a drag force on the fluid phase, composed of form and viscous drag, and both phases exchange internal energy through conduction and convective heat transfer. For Pronghorn, the volume fraction of fluid can vary in space, but not in time. Pronghorn has been validated against the VHTR PBMR400 benchmark problems, used for rod ejection simulations have been conducted for thermal-fluids/neutronics for both pebble-bed and prismatic gas-cooled reactors and simple thermal-neutronics coupled LWR benchmark problems. Pronghorn flow models cover a wide range of transient and steady flow conditions, including, porous fluid flow, compressible flow, and nearly incompressible, thermally expansive flow. The physics can be solved in three-dimensional Cartesian coordinates and two-dimensional cylindrical (r-z) coordinates.

Martineau, RichardC.↗

UV extinction and IR emission in diffuse H2 regions

HII regions occupy a unique position in our understanding of the physical relationships between stars, the interstellar medium, and galactic structure. Observations show a complex interaction between a newly formed hot star and its surroundings. In particular, the ultraviolet radiation from the stars modifies the pre-existing dust, which again affects both the amount of ionizing radiation absorbed by the gas, and the infrared spectrum emitted by the heated dust. The aim of this project was to use UV and far-UV observations to gain information on the nebular dust, and to use this dust to model the far-IR emission, for a consistent picture of a few selected diffuse HII regions. Using archival data from the IUE and Voyager data banks and computed model atmospheres, we have deduced extinction curves for early-types stars. The requisite spectral resolution turned out to be a major task. We have successfully modelled these curves in terms of a multi-component, multi-size distribution of dust grains, and interpret the differences in the curves as primarily due to the presence or non-presence of intermediate size grains (0.01 to 0.04 micron). Much smaller (0.005 micron) grains must also be present. Finally, we have made calculations of the temperature fluctuations and the corresponding infra-red emission in such small grains.

Aannestad, Per A.↗

NASA Tech Briefs, February 2012

This issue contains the following briefs: (1) Optical Comb from a Whispering Gallery Mode Resonator for Spectroscopy and Astronomy Instruments Calibration (2) Real-Time Flight Envelope Monitoring System (3) Nemesis Autonomous Test System (4) Mirror Metrology Using Nano-Probe Supports (5) Automated Lab-on-a-Chip Electrophoresis System (6) Techniques for Down-Sampling a Measured Surface Height Map for Model Validation (7) Multi-Component, Multi-Point Interferometric Rayleigh/Mie Doppler Velocimeter (8) Frequency to Voltage Converter Analog Front-End Prototype (9) Dust-Tolerant Intelligent Electrical Connection System (10) Gigabit Ethernet Asynchronous Clock Compensation FIFO (11) High-Speed, Multi-Channel Serial ADC LVDS Interface for Xilinx Virtex-5 FPGA (12) Glovebox for GeoLab Subsystem in HDU1-PEM (13) Modified Process Reduces Porosity when Soldering in Reduced Gravity Environments (14) Use of Functionalized Carbon Nanotubes for Covalent Attachment of Nanotubes to Silicon (15) Flexible Plug Repair for Shuttle Wing Leading Edge (16) Three Dimensionally Interlinked, Dense, Solid Form of Single-Walled CNT Ropes (17) Axel Robotic Platform for Crater and Extreme Terrain Exploration (18) Site Tamper and Material Plow Tool - STAMP (19) Magnetic Interface for Segmented Mirror Assembly (20) Transpiration-Cooled Spacecraft-Insulation-Repair Fasteners (21) Fluorescence-Based Sensor for Monitoring Activation of Lunar Dust (22) Aperture Ion Source (23) Virtual Ultrasound Guidance for Inexperienced Operators (24) Model-Based Fault Diagnosis: Performing Root Cause and Impact Analyses in Real Time (25) Interactive Schematic Integration Within the Propellant System Modeling Environment (26) Magnetic and Electric Field Polarizations of Oblique Magnetospheric Chorus Waves (27) Variable Sampling Mapping.

Source record↗

Solid State Reduction Driven Synthesis of Mn Containing Multi-principal Component Alloys

In recent years, high entropy alloys (HEAs), also known as multi-principal component alloys (MPCAs) have emerged as a new and exciting class of materials. This paper reports on the solid state reduction synthesis of a series of CoFeNiMn-based MPCA compositions, starting from a mixture of the corresponding oxides. One of the aims of the study was to test whether the degree of reduction of MnO, a highly stable oxide, could be enhanced by tailoring the alloy composition. Specifically, the influence of Ni content was studied because Ni exhibits a significant negative enthalpy of mixing with Mn. High purity precursor powders of Co(OH) 2 , Fe 2 O 3 , MnO 2 , and NiO were milled and mixed using standard ceramic processing methods. Here, the nominal sample compositions (assuming complete oxide reduction) were (CoFeMn) x Ni (1-x) , for x = 0, 0.083, 0.166, and 0.25. The oxide samples were subjected to a series of isothermal reduction anneals in flowing 3 pct H 2 –Ar at 1100 °C. The resulting microstructures were characterized using scanning electron microscopy (SEM), X-ray energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD). The composition of the resulting MPCAs was determined quantitatively using wavelength dispersive spectroscopy (WDS) in the electron microprobe. The study revealed that for each of the initial oxide compositions studied, it was possible to achieve an MPCA with ~ 25 at. pct Mn. These results were found to be consistent with the predictions of a thermodynamic model whereby a negative enthalpy of mixing (ΔH mix ), combined with a contribution from configurational entropy, can offset a positive free energy of reduction (ΔG red ). The incorporation of vibrational entropy into first principles calculations was found to have a significant effect on the predicted crystal structure of the MPCAs.

36 MATERIALS SCIENCE↗

Xylan-cellulose core structure of oat water-extractable β-glucan macromolecule: Insight into interactions and organization of the cell wall complex

Water-extractable β-glucan with high molar mass (HM) determines health benefits of oat food. Oat β-glucan was extracted by a standardized in vitro digestion method and co-existing water-extractable polysaccharide (WEP) fraction and its HM-arabinoxylan (HM-AX) subfraction were isolated to identify their highly acid-resistant subunit and investigate molecular interactions between constituent polymers. The WEP and HM-AX samples consisted of arabinoxylans (AXs) (74 and 76 %, respectively), however, cellulose constituted the secondary component (6.6 and 12.8 %, respectively). Multi-detection HPSEC along with specific enzymatic hydrolysis of AXs revealed the presence of the HM-xylan domain (16 and 34 %, respectively) built of numerous single- and multi-component populations with random coil and rod-like conformations, which were embedded in a xylan matrix with spherical conformation and controlled the macromolecular shape. Unlike single-component populations, the multi-component ones were resistant to hydrolytic action of AX-hydrolyzing enzymes and represented the subunits that anchor matrix polysaccharides onto cellulose surface. These results indicate that water-extractable β-glucan macromolecule comprises as integral element a cellulose core with two linking populations, HM-xylan and low molar mass glucomannan, which are surrounded by a feruloylated AX-arabinan-arabinogalactan composite and next laminated by β-glucan matrix. Here, the stiff cellulose-xylan backbone is the basis of HM β-glucan organization, controlled by its cellulose-like segments.

59 BASIC BIOLOGICAL SCIENCES↗

Experimental study of sprays with isooctane, hexane, ethanol and their binary mixtures under different flash boiling intensities

Here, this work investigated the behaviors of single-component and multi-component sprays under different flash boiling intensities. Isooctane, hexane, ethanol, isooctane-hexane, and isooctane-ethanol mixtures were used as test fuels. The pressure ratio of the ambient pressure over saturation pressure (R p ) was used as the indicator of the superheated degree. Macroscopic characteristics of the sprays under 10 different R p (1.1 to 0.14) were investigated using Diffused Backlight Imaging (DBI). Droplet size, which revealed the spray microscopic characteristics, was also investigated using Phase Doppler Anemometry (PDA). The results showed that ambient pressure reduction led to higher flash boiling intensity, significant spray morphology changes, and smaller droplet size, regardless of the fuel type and blend ratios. Spray collapse was observed for all sprays once R p dropped below 0.3. Spray collapse dramatically increased the liquid penetration length, expanded the near-field spray angle, and reduced the far-field angle for sprays with all the fuels. Fuel properties, such as the latent heat of vaporization, had significant impacts on droplet size distributions, thus altering the liquid penetration length and spray angles. Under similar R p , sprays with high ethanol content generally had larger droplet sizes compared with other fuel sprays due to the high latent heat of vaporization. The larger droplets caused the high ethanol content sprays to be more resistant to the plume trajectory change, resulting in a smaller far-field spray angle variations with changing R p . At R p of 0.28, sprays with the similar latent heat of vaporization have similar droplet sizes, and droplet sizes at different radial locations were also similar to each other.

42 ENGINEERING↗

Fatigue Behavior of Coated Titanium Alloys

Advanced multi-component TiAlCrTaSiN-based multilayered coatings were developed and processed onto Ti-6Al-4V (Ti-6-4) and GammaMet PX (GMPX or TiAl) alloys by a magnetron-enhanced physical vapor deposition technique. The coatings have recently been in development with the goal of improving advanced titanium alloy, turbine engine component durability and oxidation-erosion resistance. In this work, the performance of the multi-component coating system (including the outer layer nitride based coating and inner TiAlCrSi oxidation barrier bond coat) was studied, and the coating's influence on the fatigue behavior of the titanium-based alloys were compared. Although the multi-component coating was initially optimized to improve the coating's high temperature oxidation and erosion resistance, the lower ductility nitride-based coating needs further work on microstructure or composition to improve its mechanical stress resistance and strain tolerance for use in cyclically loaded, turbine blade operating conditions. This is particularly true for GMPX and other γ-TiAl alloys because these intermetallic titanium alloys have limited ductility and are very sensitive to defects such as coating cracks. However, the inner layer TiAlCrSi-coating had better adhesion and ductility, and may be a suitable choice to improve the oxidation resistance of titanium alloys.

Oxidation Barrier Coatings↗

Structures of Vanadium-Containing Silicate and Borosilicate Glasses: Vanadium Potential Development and MD Simulations

Vanadium-containing multi-component glasses have been found with widely interests in various applications. However, the complex compositions, thus structures, lead to the challenges in experiments to understand the structural origin of the property change of these glasses. In this work, we developed compatible vanadium-related parameters for a widely used pair wise potential set to enable the simulations of the vanadium-containing multi-component glasses. Various crystal structures and glass compositions (with vanadium in different oxidation states) have been tested using the newly developed parameters, and structural information of cell parameters, pair distribution function, estimated bond distance, and coordination number have been obtained. The results are in good agreement with available experimental data, which indicates the new vanadium parameters can be used to simulate the vanadium-containing multi-component glasses and thus help study those applications with wide interests.

Deng, Lu↗

Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields

The primary accomplishments of the project were as follows: (1) From an overall standpoint, the primary accomplishment of this research was the development of a complete gasdynamic-radiatively coupled nonequilibrium viscous shock layer solution method for axisymmetric blunt bodies. This method can be used for rapid engineering modeling of nonequilibrium re-entry flowfields over a wide range of conditions. (2) Another significant accomplishment was the development of an air radiation model that included local thermodynamic nonequilibrium (LTNE) phenomena. (3) As part of this research, three electron-electronic energy models were developed. The first was a quasi-equilibrium electron (QEE) model which determined an effective free electron temperature and assumed that the electronic states were in equilibrium with the free electrons. The second was a quasi-equilibrium electron-electronic (QEEE) model which computed an effective electron-electronic temperature. The third model was a full electron-electronic (FEE) differential equation model which included convective, collisional, viscous, conductive, vibrational coupling, and chemical effects on electron-electronic energy. (4) Since vibration-dissociation coupling phenomena as well as vibrational thermal nonequilibrium phenomena are important in the nonequilibrium zone behind a shock front, a vibrational energy and vibration-dissociation coupling model was developed and included in the flowfield model. This model was a modified coupled vibrational dissociation vibrational (MCVDV) model and also included electron-vibrational coupling. (5) Another accomplishment of the project was the usage of the developed models to investigate radiative heating. (6) A multi-component diffusion model which properly models the multi-component nature of diffusion in complex gas mixtures such as air, was developed and incorporated into the blunt body model. (7) A model was developed to predict the magnitude and characteristics of the shock wave precursor ahead of vehicles entering the Earth's atmosphere. (8) Since considerable data exists for radiating nonequilibrium flow behind normal shock waves, a normal shock wave version of the blunt body code was developed. (9) By comparing predictions from the models and codes with available normal shock data and the flight data of Fire II, it is believed that the developed flowfield and nonequilibrium radiation models have been essentially validated for engineering applications.

Carlson, Leland A.↗

Development of a Multi-Disciplinary Computing Environment (MDICE)

The growing need for and importance of multi-component and multi-disciplinary engineering analysis has been understood for many years. For many applications, loose (or semi-implicit) coupling is optimal, and allows the use of various legacy codes without requiring major modifications. For this purpose, CFDRC and NASA LeRC have developed a computational environment to enable coupling between various flow analysis codes at several levels of fidelity. This has been referred to as the Visual Computing Environment (VCE), and is being successfully applied to the analysis of several aircraft engine components. Recently, CFDRC and AFRL/VAAC (WL) have extended the framework and scope of VCE to enable complex multi-disciplinary simulations. The chosen initial focus is on aeroelastic aircraft applications. The developed software is referred to as MDICE-AE, an extensible system suitable for integration of several engineering analysis disciplines. This paper describes the methodology, basic architecture, chosen software technologies, salient library modules, and the current status of and plans for MDICE. A fluid-structure interaction application is described in a separate companion paper.

Kingsley, Gerry↗

Simulating the Response of a Composite Honeycomb Energy Absorber: Dynamic Crushing of Components and Multi-Terrain Impacts - Part 1

This paper describes the experimental and analytical evaluation of an externally deployable composite honeycomb structure that is designed to attenuate impact energy during helicopter crashes. The concept, designated the Deployable Energy Absorber (DEA), utilizes an expandable Kevlar (Registered Trademark) honeycomb to dissipate kinetic energy through crushing. The DEA incorporates a unique flexible hinge design that allows the honeycomb to be packaged and stowed until needed for deployment. Experimental evaluation of the DEA included dynamic crush tests of multi-cell components and vertical drop tests of a composite fuselage section, retrofitted with DEA blocks, onto multi-terrain. Finite element models of the test articles were developed and simulations were performed using the transient dynamic code, LSDYNA (Registered Trademark). In each simulation, the DEA was represented using shell elements assigned two different material properties: Mat 24, an isotropic piecewise linear plasticity model, and Mat 58, a continuum damage mechanics model used to represent laminated composite fabrics. DEA model development and test-analysis comparisons are presented.

Jackson, Karen E.↗

Monitoring the Intrinsic Absorption Complex Toward RXJ123.8+0115

The main focus of this study was changed after it became clear that the object to be observed by the Far Ultraviolet Spectroscopic Explorer (FUSE) could not be observed because of spacecraft attitude control system limitations. Therefore, we replaced the prime object for the program (RXJ1230.8+0115) with a secondary object (H1821+643) and began an analysis of a similar quasar spectrum for comparison with the extant RXJ1230.8+0115 spectrum obtained previously by FUSE. Using high-resolution spectra of the radio-quiet, X-ray bright quasar HE0226-4110 obtained with the Hubble Space Telescope (HST) and FUSE, we have examined the remarkable associated absorption line system. The redshift of the quasar is roughly 0.5 so the FUSE+HST spectra cover the rest-frame wavelength in the extreme ultraviolet range 610-1 160A. In this range, we detect transitions from a wide range of ionization species, including the H I Lyman series, Ne VIII, and, for the first time at this resolution, four adjacent stages of oxygen O III-VI. The high quality of these spectra allow us to disentangle the structure of the gas using the complex kinematics to guide the assessments of the multi-component and multi-phase nature of the system. The kinematics of the absorber indicate that all the H I, C 111, and 0 III reside in a single component, while higher ionization species largely arise in a separate, more kinematically complex structure. An analysis of a ground-based spectrum of the quasar covering the H-beta and [0 III] 5007 emission lines reveal excellent agreement in redshift between the 0 III absorption and emission. Thus, for the first time, we are able to use absorption line diagnostics to place interesting constraints on the location and structure of the narrow emission line region around a quasar. In addition, we detect a narrow absorption line that is only seen O VI and lies roughly 50 km/s redward of the narrow emission line component. Absorption from 0 V, and Ne VIII is also detected at this velocity, but as part of broader, more redshifted, component. The line width of this narrow component imply a maximum temperature that is too small to produce O VI through collisional process, suggesting instead that photoionization from the quasar is the dominant ionization mechanism. The photoionization constraints imply that O VII should be the dominant ionization stage in the component.

Sembach, Kenneth↗

Transport and Co-Transport of Carboxylate Ions and Ethanol in Anion Exchange Membranes

Understanding multi-component transport behavior through hydrated dense membranes is of interest for numerous applications. For the particular case of photoelectrochemical CO 2 reduction cells, it is important to understand the multi-component transport behavior of CO 2 electrochemical reduction products including mobile formate, acetate and ethanol in the ion exchange membranes as one role of the membrane in these devices is to minimize the permeation of these products. Anion exchange membranes (AEM) have been employed in these and other electrochemical devices as they act to facilitate the transport of common electrolytes (i.e., bicarbonates). However, as they act to facilitate the transport of carboxylates as well, thereby reducing the overall performance, the design of new AEMs is necessary to improve device performance through the selective transport of the desired ion(s) or electrolyte(s). Here, we investigate the transport behavior of formate and acetate and their co-transport with ethanol in two types of AEMs: (1) a crosslinked AEM prepared by free-radical copolymerization of a monomer with a quaternary ammonium (QA) group and a crosslinker, and (2) Selemion® AMVN. We observe a decrease in diffusivities to carboxylates in co-diffusion. We attribute this behavior to charge screening by the co-diffusing alcohol, which reduces the electrostatic attraction between QAs and carboxylates.

36 MATERIALS SCIENCE↗

Solvent‐Free Self‐Assembly for Scalable Preparation of Highly Crystalline Mesoporous Metal Oxides

Abstract Mesoporous metal oxides (MMOs) have been demonstrated great potential in various applications. Up to now, the direct synthesis of MMOs is still limited to the solvent induced inorganic‐organic self‐assembly process. Here, we develop a facile, general, and high throughput solvent‐free self‐assembly strategy to synthesize a series of MMOs including single‐component MMOs and multi‐component MMOs (e.g., doped MMOs, composite MMOs, and polymetallic oxide) with high crystallinity and remarkable porous properties by grinding and heating raw materials. Compared with the traditional solution self‐assembly process, the avoidance of solvents in this method not only greatly increases the yield of target products and synthesis efficiency, but also reduces the environmental pollution and the consumption of cost and energy. We believe the presented approach will pave a new avenue for scalable production of advanced mesoporous materials for various applications.

Xiong, Hailong↗

A generalized distillation network synthesis model

In this report we propose a generalized superstructure-based distillation network synthesis model with improved modeling capabilities resulting in an extended solution space. The model can assign multiple mixtures to be separated (e.g., reactor network effluents) to different columns of the network while considering the interactions among different separation steps. In terms of outlets, products with general specifications, including pure components and multi-component mixtures, as well as streams without strict specifications (e.g., reactor recycle streams) can be readily handled. Furthermore, stream bypass is considered to avoid unnecessary separations, and thermal coupling is considered to yield novel solutions. The proposed model enables seamless integration with reactor network synthesis models thereby leading to solutions that are superior to the ones obtained by conventional sequential approaches.

42 ENGINEERING↗

Efficient and robust stability analysis in the internal energy, volume, and moles (UVN) space

Hydrodynamic simulation of fluids in vessels is often based on the internal energy (U), volume (V), and the number of moles of all components ( re N = N 1 , N 2 , ..., N n ) as the working variables to determine the thermodynamic state by finding the global maximum of entropy. The procedure of finding the equilibrium state may be divided into two steps: stability analysis and phase-split computations. Stability analysis is performed first, and the phase-split computation proceeds if the system is unstable. Most of the past work on UVN space has been based on phase-split computations, while the stability analysis is barely investigated. Furthermore, previous studies for the stability analysis use only Newton's method to solve the non-linear algebraic equations. We present an efficient and robust approach for stability analysis where UVN is specified. The successive substitution iteration (SSI) is used to provide good initial guesses for Newton's method. The proposed approach results in a reduced number of unknowns and does not require a large number of iterations to achieve convergence in Newton's method. Overall, our proposed formulation is compatible with different equations of state and is applicable to both pure component and multi-components. The robustness and efficiency of the algorithm for stability analysis are demonstrated in various examples.

02 PETROLEUM↗