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At least 1,567 records · Page 87

Interaction of Peroxynitric Acid with Solid H2O Ice

The uptake of peroxynitric acid (PNA), HO2NO2 or HNO4, on solid H2O ice at 193 K (-80 C) was studied using a fast flow-mass spectrometric technique. An uptake coefficient of 0.15 +/- 0.10 was measured, where the quoted uncertainty denotes 2 standard deviations. The uptake process did not result in the production of gas phase products. The composition of the condensed phase was investigated using programmed heating (3 K/min) of the substrate coupled with mass spectrometric detection of desorbed species. Significant quantities of HNO, and HNO3 desorbed from the substrates at temperatures above 225 K and 246 K, respectively. The desorbed HNO3, which was less than 9% of the desorbed HNO, and remained unchanged upon incubation of the substrate, was likely due to impurities in the HNO4 samples rather than reaction of HNO, on the substrate. The onset temperatures for HNO4 desorption increased with increasing H2O to HNO4 ratios, indicating that HNO4, like HNO3, tends to be hydrated in the presence of water. These observations suggest possible mechanisms for removal of HNO4 or repartitioning of total odd nitrogen species in the Earth's upper troposphere and stratosphere.

Li, Zhuangjie↗

1300 K Creep Behavior of [001] Oriented Ni-49Al-1Hf (at.%) Single Crystals

A study of the 1300 K compressive and tensile creep properties of [001]-oriented NiAl-1Hf (D209) single crystals has been undertaken. Neither post homogenization cooling treatment, minor chemical variations within an ingot or from ingot-to-ingot, nor testing procedure had a significant effect on mechanical behavior; however a heat treatment which dissolved the initial G-phase precipitates and promoted formation of Heusler particles led to a strength reduction. Little primary creep was found utilizing direct measurement of strain, and a misorientation of 18 deg from the [001] did not reduce the creep strength. The effects of heat treatments on properties and a comparison of the flow stress-strain rate data to those predicted by the Jaswon-Cottrell solid solution hardening model indicate that the 1300 K strength in NiAl-1Hf single crystals is mainly due to precipitation hardening mechanisms.

Whittenberger, J. Daniel↗

Mixed Element Type Unstructured Grid Generation for Viscous Flow Applications

A procedure is presented for efficient generation of high-quality unstructured grids suitable for CFD simulation of high Reynolds number viscous flow fields. Layers of anisotropic elements are generated by advancing along prescribed normals from solid boundaries. The points are generated such that either pentahedral or tetrahedral elements with an implied connectivity can be be directly recovered. As points are generated they are temporarily attached to a volume triangulation of the boundary points. This triangulation allows efficient local search algorithms to be used when checking merging layers, The existing advancing-front/local-reconnection procedure is used to generate isotropic elements outside of the anisotropic region. Results are presented for a variety of applications. The results demonstrate that high-quality anisotropic unstructured grids can be efficiently and consistently generated for complex configurations.

Marcum, David L.↗

Solid State Light Evaluation in the U.S. Lab Mockup

This document constitutes the publication of work performed by the Space Human Factors Laboratory (mail code SF5 at the time) at the Johnson Space Center (JSC) in the months of June and July of 2000. At that time, the Space Human Factors Laboratory was part of the Space Human Factors Branch in the Flight Projects Division of the Space and Life Directorate. This report was originally to be a document for internal consumption only at JSC as it was seen to be only preliminary work for the further development of solid state illumination for general lighting on future space vehicles and the International Space Station (ISS). Due to funding constraints, immediate follow-on efforts were delayed and the need for publication of this document was overcome by other events. However, in recent years and with the development and deployment of a solid state light luminaire prototype on ISS, the time was overdue for publishing this information for general distribution and reference. Solid state lights (SSLs) are being developed to potentially replace the general luminaire assemblies (GLAs) currently in service in the International Space Station (ISS) and included in designs of modules for the ISS. The SSLs consist of arrays of light emitting diodes (LEDs), small solid state electronic devices that produce visible light in proportion to the electrical current flowing through them. Recent progressive advances in electrical power-to-light conversion efficiency in LED technology have allowed the consideration of LEDs as replacements for incandescent and fluorescent light sources in many circumstances, and their inherent advantages in ruggedness, reliability, and life expectancy make them attractive for applications in spacecraft. One potential area of application for the SSLs in the U.S. Laboratory Module of the ISS. This study addresses the suitability of the SSLs as replacements for the GLAs in this application.

Maida, James c.↗

Terrestrial Testing of the CapiBRIC, a Microgravity Optimized Brine Processor

Utilizing geometry based static phase separation exhibited in the radial vaned capillary drying tray, a system was conceived to recover water from brine. This technology has been named the Capillary BRIC; abbreviated CapiBRIC. The CapiBRIC utilizes a capillary drying tray within a drying chamber. Water is recovered from clean water vapor evaporating from the free surface leaving waste brine solids behind. A novel approach of optimizing the containment geometry to support passive capillary flow and static phase separation provides the opportunity for a low power system that is not as susceptible to fouling as membranes or other technologies employing physical barriers across the free brine surface to achieve phase separation in microgravity. Having been optimized for operation in microgravity, full-scale testing of the CapiBRIC as designed cannot be performed on the ground as the force of gravity would dominate over the capillary forces. However, subscale units relevant to full-scale design were used to characterize fill rates, containment stability, and interaction with a variable volume reservoir in the PSU Dryden Drop Tower (DDT) facility. PSU also using tested units scaled such that capillary forces dominated in a 1-g environment to characterize evaporation from a free-surface in 1-g upward, sideways and downward orientations. In order to augment the subscale testing performed by PSU, a full scale 1-g analogue of the CapiBRIC drying unit was initiated to help validate performance predictions regarding expected water recovery ratio, estimated processing time, and interface definitions for inlets, outlets, and internal processes, including vent gas composition. This paper describes the design, development and test of the terrestrial CapiBRIC prototypes.

Sargusingh, Miriam J.↗

Numerical Modeling of Saturated Boiling in a Heated Tube

This paper describes a mathematical formulation and numerical solution of boiling in a heated tube. The mathematical formulation involves a discretization of the tube into a flow network consisting of fluid nodes and branches and a thermal network consisting of solid nodes and conductors. In the fluid network, the mass, momentum and energy conservation equations are solved and in the thermal network, the energy conservation equation of solids is solved. A pressure-based, finite-volume formulation has been used to solve the equations in the fluid network. The system of equations is solved by a hybrid numerical scheme which solves the mass and momentum conservation equations by a simultaneous Newton-Raphson method and the energy conservation equation by a successive substitution method. The fluid network and thermal network are coupled through heat transfer between the solid and fluid nodes which is computed by Chen's correlation of saturated boiling heat transfer. The computer model is developed using the Generalized Fluid System Simulation Program and the numerical predictions are compared with test data.

Majumdar, Alok↗

Lessons Learned on the Use of Data Surfaces for Ffowcs Williams-Hawkings Calculations: Airframe Noise Applications

The use of integral solutions to the acoustic analogy-based Ffowcs Williams-Hawkings (FW-H) formulation is the defacto industrial and academic approach for assessing far-field acoustic behavior from airframe noise simulations. The methodology utilizes time-accurate flow variables obtained at arbitrary data surfaces to determine far-field spectra. The solid surface approach, where the time history of pressure is recorded on the surface of the aircraft, is generally preferred. Permeable surfaces, where pressure and velocity are recorded on a user-defined surface enclosing the aircraft, are also used. This paper seeks to share some of the valuable lessons we learned over the past several years on the limitations of the FW-H formulation and best practices for its successful application. We show results for various configurations comprising isolated landing gears, a business jet, a large commercial transport, and a generic low boom supersonic prototype, all at landing conditions. We demonstrate that the solid FW-H approach has significant accuracy limitations for most realistic cases and that the permeable FW-H approach may also fail in specific scenarios, requiring additional costly steps to extract the correct far-field noise spectra. Suggested guidelines for proper FW-H calculations are also given.

Acoustic propagation, Ffowcs Williams-Hawkings Cal↗

Continuous Enzymatic Hydrolysis Development for Improved Saccharification Performance

The Continuous Enzymatic Hydrolysis Development (CEHD) project aims to reduce the cost and commercialization risks of Gen2 biorefinery sugar/lignin/ethanol production through development of a deployable continuous enzymatic hydrolysis process. Recent changes in the technical landscape of commercial enzymatic hydrolysis of Gen2 pretreated biomass dictate that the existing hybrid SSF approach be reconsidered. Most importantly, the current practice of "finishing hydrolysis" in SSF must be abandoned due to the fact that new cellulase/hemicellulose formulations from Novozymes, now the sole supplier of commercial Gen2 enzymes in North America, are now not rated for SSF (see NZ CTec3HS product bulletin). We have recently developed bench scale CEH tools to optimize saccharification of DMR pretreated biomass where, unlike SSF with yeast or Zymomonas, the pH, temperature, oxygen tension, LPMO mediator concentration, and/or removal of end-product inhibitors can be precisely controlled. In scale up, the goal is to use existing commercial cross flow ceramic membrane filtration external loops coupled to enzymatic hydrolysis (EH) reactors. Pretreated biomass solids and enzymes are retained for reaction while solubilized product sugars are removed in situ, with high extents of conversion and longer enzyme lifetimes achieved through a series of reactor-membrane unit stages. The CEHD project is focused on advancing CEH as a transformational, process-intensified, lower-cost method for producing soluble clarified biomass sugars and insoluble lignin-rich streams.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗

A method for the modelling of porous and solid wind tunnel walls in computational fluid dynamics codes

Porous wall wind tunnels have been used for several decades and have proven effective in reducing wall interference effects in both low speed and transonic testing. They allow for testing through Mach 1, reduce blockage effects and reduce shock wave reflections in the test section. Their usefulness in developing computational fluid dynamics (CFD) codes has been limited, however, by the difficulties associated with modelling the effect of a porous wall in CFD codes. Previous approaches to modelling porous wall effects have depended either upon a simplified linear boundary condition, which has proven inadequate, or upon detailed measurements of the normal velocity near the wall, which require extensive wind tunnel time. The current work was initiated in an effort to find a simple, accurate method of modelling a porous wall boundary condition in CFD codes. The development of such a method would allow data from porous wall wind tunnels to be used more readily in validating CFD codes. This would be beneficial when transonic validations are desired, or when large models are used to achieve high Reynolds numbers in testing. A computational and experimental study was undertaken to investigate a new method of modelling solid and porous wall boundary conditions in CFD codes. The method utilized experimental measurements at the walls to develop a flow field solution based on the method of singularities. This flow field solution was then imposed as a pressure boundary condition in a CFD simulation of the internal flow field. The effectiveness of this method in describing the effect of porosity changes on the wall was investigated. Also, the effectiveness of this method when only sparse experimental measurements were available has been investigated. The current work demonstrated this approach for low speed flows and compared the results with experimental data obtained from a heavily instrumented variable porosity test section. The approach developed was simple, computationally inexpensive, and did not require extensive or intrusive measurements of the boundary conditions during the wind tunnel test. It may be applied to both solid and porous wall wind tunnel tests.

Beutner, Thomas John↗

Fluid–Solid Coupling Simulation on the Temperature Distribution of Tuyere Used for Oxygen Bottom Blowing Converter

For an oxygen bottom blowing converter, a high-temperature fire spot zone forms above the tuyere owing to oxygen reaction. The bottom blowing tuyere and surrounding brick are simultaneously heated by high-temperature fire spot and flowing molten steel. High-speed fluids flowing in the inner tube and the annular gap of the tuyere can remove part of the heat transferred from the fire spot zone and molten steel, playing a vital role in cooling the tuyere. To determine the temperature distributions of the tuyere and surrounding brick under the condition of oxygen bottom blowing, a fluid–solid coupling heat transfer numerical model that considers both the radiation of the fire spot and convection of the molten steel was established in this study. The simulation results agree well with previous experimental results; thus, the numerical model was validated. Utilizing the validated model, the influences of the tuyere inner tube material and fire spot zone temperature on the tuyere temperature distribution were studied in detail. Along with an increase in the material thermal conductivity, the maximum temperature of the inner tube at the hot face decreased, verifying the superiority of copper as the inner tube. More importantly, it was found that reducing the fire spot zone temperature by mixing CO{sub 2} in the bottom blowing oxygen fundamentally alleviated the burning loss of the tuyere and the surrounding brick.

36 MATERIALS SCIENCE↗

Numerical Analysis of 2-D and 3-D MHD Flows Relevant to Fusion Applications

Here, the analysis of many fusion applications such as liquid-metal blankets requires application of computational fluid dynamics (CFD) methods for electrically conductive liquids in geometrically complex regions and in the presence of a strong magnetic field. A current state of the art general purpose CFD code allows modeling of the flow in complex geometric regions, with simultaneous conjugated heat transfer analysis in liquid and surrounding solid parts. Together with a magnetohydrodynamics (MHD) capability, the general purpose CFD code will be a valuable tool for the design and optimization of fusion devices. This paper describes an introduction of MHD capability into the general purpose CFD code CFX, part of the ANSYS Workbench. The code was adapted for MHD problems using a magnetic induction approach. CFX allows introduction of user-defined variables using transport or Poisson equations. For MHD adaptation of the code three additional transport equations were introduced for the components of the magnetic field, in addition to the Poisson equation for electric potential. The Lorentz force is included in the momentum transport equation as a source term. Fusion applications usually involve very strong magnetic fields, with values of the Hartmann number of up to tens of thousands. In this situation a system of MHD equations become very rigid with very large source terms and very strong variable gradients. To increase system robustness, special measures were introduced during the iterative convergence process, such as linearization using source coefficient for momentum equations. The MHD implementation in general purpose CFD code was tested against benchmarks, specifically selected for liquid-metal blanket applications. Results of numerical simulations using present implementation closely match analytical solutions for a Hartmann number of up to 1500 for a 2-D laminar flow in the duct of square cross section, with conducting and nonconducting walls. Results for a 3-D test case are also included.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

On the Representation of the Porosity-Pressure Relationship in General Subsurface Flow Codes

The governing equations for subsurface flow codes in a deformable porous media are derived from the balance of fluid mass and Darcy's equation. One class of these codes, which we call general subsurface flow codes (GSFs), allow for more general constitutive relations for material properties such as porosity, permeability and density. Examples of GSFs include PFLOTRAN, FEHM, TOUGH2, STOMP, and some reservoir simulators such as BOAST. Depending on the constitutive relations used in GSFs, an inconsistency arises between the standard groundwater flow equation and the governing equation of GSFs, and we clarify that the reason for this inconsistency is because the Darcy's equation used in the GSFs should account for the velocity of fluid with respect to solid. Due to lack of awareness of this inconsistency, users of the GSFs tend to use a porosity-pressure relationship that comes from the standard groundwater flow equation and assumes that the relative velocity is already accounted for. For the Theis problem, we show that using this traditional relationship in the GSFs leads to significantly large errors. In this work, we propose an alternate porosity-pressure relationship that is consistent with the derivation of the governing equations in the GSFs where the solid velocity is not tracked, and show that, with this relationship, the results are more accurate for the Theis problem. The purpose of this note is to make the users and developers of these GSFs aware of this inconsistency and to advocate that the alternate porosity model derived here should be incorporated in GSFs.

58 GEOSCIENCES↗

Analysis of film cooling in rocket nozzles

Computational Fluid Dynamics (CFD) programs are customarily used to compute details of a flow field, such as velocity fields or species concentrations. Generally they are not used to determine the resulting conditions at a solid boundary such as wall shear stress or heat flux. However, determination of this information should be within the capability of a CFD code, as the code supposedly contains appropriate models for these wall conditions. Before such predictions from CFD analyses can be accepted, the credibility of the CFD codes upon which they are based must be established. This report details the progress made in constructing a CFD model to predict the heat transfer to the wall in a film cooled rocket nozzle. Specifically, the objective of this work is to use the NASA code FDNS to predict the heat transfer which will occur during the upcoming hot-firing of the Pratt & Whitney 40K subscale nozzle (1Q93). Toward this end, an M = 3 wall jet is considered, and the resulting heat transfer to the wall is computed. The values are compared against experimental data available in Reference 1. Also, FDNS's ability to compute heat flux in a reacting flow will be determined by comparing the code's predictions against calorimeter data from the hot firing of a 40K combustor. The process of modeling the flow of combusting gases through the Pratt & Whitney 40K subscale combustor and nozzle is outlined. What follows in this report is a brief description of the FDNS code, with special emphasis on how it handles solid wall boundary conditions. The test cases and some FDNS solution are presented next, along with comparison to experimental data. The process of modeling the flow through a chamber and a nozzle using the FDNS code will also be outlined.

Woodbury, Keith A.↗

Real-Time Observation of the Diffusion Mechanism Progression from Liquid to Solid State of Transition Metal Complexes

Copper complexes have recently shown remarkable performance upon conversion from liquid-based to solid-state hole transport materials (HTMs) in mesoscopic solar cells; however, the diffusion mechanism is not clear. Here, we apply an in situ solidification analysis of the charge diffusion and find that the dominant mechanism of [Cu(dmbpy) 2 ] 2+/+ (dmbpy = 6,6'-dimethyl-2,2'-bipyridine) changes from ionic to electronic diffusion. Through use of the modified Dahms–Luff equation, a fast self-exchange rate constant of hole-hopping in the HTM of 8.3 × 10 8 (±5 × 10 7 ) M –1 s –1 is calculated, which indicates a small reorganization energy of 0.47 eV. These findings present a new methodology to analyze the transport mechanism of solids, reveal the mechanism of charge transport in molecular-based HTMs, and offer insight into ways to control the flow of charge in optoelectronic systems

14 SOLAR ENERGY↗

Characteristics and performance of the variable polarity plasma arc welding process used in the Space Shuttle external tank

Significant advantages of the Variable Polarity Plasma Arc (VPPA) Welding Process include faster welding, fewer repairs, less joint preparation, reduced weldment distortion, and absence of porosity. Flow profiles and power distribution of argon plasma gas as a working fluid to produce plasma arc jet in the VPPA welding process was analyzed. Major loss of heat transfer for flow through the nozzle is convective heat transfer; for the plasma jet flow between the outlet of the nozzle and workpiece is radiative heat transfer; and for the flow through the keyhole of the workpiece is convective heat transfer. The majority of the power absorbed by the keyhole of the workpiece is used for melting the solid metal workpiece into a molten metallic puddle. The crown and root widths and the crown and root heights can be predicted. An algorithm for promoting automatic control of flow parameters and the dimensions of the final product of the welding specification to be used for the VPPA Welding System operated at MSFC are provided.

Hung, R. J.↗

Implementation and Re nement of a Comprehensive Model for Dense Granular Flows

Dense granular ows are ubiquitous in both natural and industrial processes. They manifest three di erent ow regimes, each exhibiting its own dependence on solids volume fraction, shear rate, and particle-level properties. This research project sought to develop continuum rheological models for dense granular ows that bridges multiple regimes of ow, implement them in open-source platforms for gas-particle ows and perform test simulations. The rst phase of the research covered in this project involved implementation of a steady- shear rheological model that bridges quasi-static, intermediate and inertial regimes of ow into MFIX (Multiphase Flow with Interphase eXchanges - a general purpose computer code developed at the National Energy Technology Laboratory). MFIX simulations of dense granular ows in hourglass-shaped hopper were then performed as test examples. The second phase focused on formulation of a modi ed kinetic theory for frictional particles that can be used over a wider range of particle volume fractions and also apply for dynamic, multi- dimensional ow conditions. To guide this work, simulations of simple shear ows of identical mono-disperse spheres were also performed using the discrete element method. The third phase of this project sought to develop and implement a more rigorous treatment of boundary e ects. Towards this end, simulations of simple shear ows of identical mono-disperse spheres con ned between parallel plates were performed and analyzed to formulate compact wall boundary conditions that can be used for dense frictional ows at at frictional boundaries. The fourth phase explored the role of modest levels of cohesive interactions between particles on the dense phase rheology. The nal phase of this project focused on implementation and testing of the modi ed kinetic theory in MFIX and running bin-discharge simulations as test examples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Computational model development and validation of fuel dispersal phenomena

As the US nuclear industry is renewing efforts to extend the rod average burnup limits in existing pressurized water reactors, it becomes imperative to investigate the safety implications associated with high burnup fuel fragmentation and the potential dispersal of fragmented fuel into the reactor coolant system. Additionally, as there is a growing interest in transitioning to new nuclear fuel designs to accommodate higher fuel burnup levels, it becomes essential to conduct studies on fuel behavior during design basis accident scenarios, particularly during a postulated loss-of-coolant accident, in order to ensure the safe operation of light-water reactors. The present study develops a computational model to simulate the complex three-phase flow of the fuel dispersal phenomena that occur following a breach in the cladding, when the stream of solid fuel particles and carrier fission gas stream may interact with the surrounding liquid medium. Furthermore, the proposed framework considers the solid phase as discrete Lagrangian particles while the interpenetrating gas–liquid continuum is modeled using a Eulerian framework. The developed simulation framework is validated with experimental results performed in a separate-effect test facility by comparing predicted particle settlement locations with the experimental observations reported in the literature. Key highlights of this study include the interpretation of the high-pressure boundary conditions and the three-phase flow coupling strategy. Also discussed are the gas–liquid hydrodynamics and the behavior of particles as they are transported through the gas and liquid phases.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Final Report: Dominant Mechanisms of Uranium-Phosphate Reactions in Subsurface Sediments

Phosphate addition is an in situ remediation approach that may enhance the sequestration of uranium without requiring sustained reducing conditions. However, the geochemical factors that determine the dominant immobilization mechanisms upon phosphate addition are insufficiently understood to design efficient remediation strategies or accurately predict U(VI) transport. The overall objective of our project is to determine the dominant mechanisms of U(VI)-phosphate reactions in subsurface environments. Our research approach seeks to determine the U(VI)-phosphate solid that form in the presence of different groundwater cations, characterize the effects of phosphate on U(VI) adsorption and precipitation on smectite and iron oxide minerals, examples of two major reactive mineral phases in contaminated sediments, and investigate how phosphate affects U(VI) speciation and fate during water flow through sediments from contaminated sites. The research activities conducted for this project have generated a series of major findings. U(VI) phosphate solids from the autunite mineral family are the sole phases to form during precipitation, with uranyl orthophosphate not occurring despite its predicted greater stability. Calcium phosphates may take up substantial quantities of U(VI) through three different removal processes (adsorption, coprecipitation, and precipitation) but the dominance of each process varies with the pathway of reaction. Phosphate co-adsorbs with U(VI) onto smectite mineral surfaces, forming a mixed uranium-phosphate surface complex over a wide range of conditions. However, this molecular-scale association of uranium and phosphate has not effect on the overall extent of uptake. In contrast, phosphate enhanced U(VI) adsorption to iron oxide minerals at acidic pH conditions but suppresses such adsorption at neutral and alkaline pH, despite forming mixed uranium-phosphate surface complexes during adsorption. Nucleation barriers exist that inhibit U(VI) phosphate solids from precipitating in the presence of smectite and iron oxide minerals as well as sediments from contaminated sites. Phosphate addition enhances retention of U(VI) by sediments from the Rifle, CO and Hanford, WA field research sites, areas containing substantial uranium contamination of groundwater. This enhanced retention is through adsorption processes. Both fast and slow uptake and release behavior is observed, indicating that diffusion of uranium between sediment grains has a substantial effect of U(VI) fate in flowing groundwater systems. This project has revealed the complexity of U(VI)-phosphate reactions in subsurface systems. Distinct chemical processes occur in acidic and alkaline groundwater systems. For the latter, calcium phosphate formation, solution complexation, and competition between phosphate and uranium for adsorption sites may serve to either enhance or inhibit U(VI) removal from groundwater. Under the groundwater conditions present at many contaminated sites in the U.S., phosphate appears to general enhance U(VI) retention and limit transport. However, formation of low-solubility uranium phosphate solids does not occur under field-relevant conditions, despite this being the desired product of phosphate-based remediation approaches. In addition, simple equilibrium approaches fail to well-predict uranium fate in contaminated sediments amended with phosphate, with reactive transport models that include reaction rates and mass transport through occluded domains needed to properly describe the system. Phosphate addition faces challenges to being effective as a stand-alone groundwater treatment approach but would prove beneficial as an add-on to other treatment methods that will further limit uranium migration in the subsurface.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗