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NASA NTRS1978

C III density diagnostics in nonequilibrium plasmas

Mass flow through a temperature gradient can produce substantial departures of the ionization states from their equilibrium values and can change the character of line emission. The effect of such flows on extreme ultraviolet intensities in the solar atmosphere is evaluated for the beryllium-sequence ion C III, which is an easily observed and powerful diagnostic of electron density in a collisionally dominated plasma. A downflow of material in a transition region can lead to an underestimate of the electron density; outflow of material, as in a stellar or solar wind passing from chromospheric to coronal temperatures, yields a reliable density diagnostic. Ambiguities in the analysis of ultraviolet emission lines can be circumvented by measurement of several transitions.

Raymond, J. C.↗
NASA NTRS2003

Investigation of Friction Stir Welding of Al Metal Matrix Composite Materials

The innovative process of Friction Stir Welding (FSW) has generated tremendous interest since its inception about a decade or so ago since the first patent in 1991 by TWI of Cambridge, England. This interest has been seen in many recent international conferences and publications on the subject and relevant published literature. Still the process needs both intensive basic study of deformation mechanisms during this FSW process and analysis and feasibility study to evaluate production methods that will yield high quality strong welds from the stirring action of the appropriate pin tool into the weld plate materials. Development of production processes is a complex task that involves effects of material thickness, materials weldability, pin tool design, pin height, and pin shoulder diameter and related control conditions. The frictional heating with rotational speeds of the pin tool as it plunges into the material and the ensuing plastic flow arising during the traverse of the welding faying surfaces provide the known special advantages of the FSW process in the area of this new advanced joining technology.

Diwan, Ravinder M.↗
NASA NTRS2008

2007 Research and Engineering Annual Report

Selected research and technology activities at NASA Dryden Flight Research Center are summarized. These following activities exemplify the Center's varied and productive research efforts: Developing a Requirements Development Guide for an Automatic Ground Collision Avoidance System; Digital Terrain Data Compression and Rendering for Automatic Ground Collision Avoidance Systems; Nonlinear Flutter/Limit Cycle Oscillations Prediction Tool; Nonlinear System Identification Using Orthonormal Bases: Application to Aeroelastic/Aeroservoelastic Systems; Critical Aerodynamic Flow Feature Indicators: Towards Application with the Aerostructures Test Wing; Multidisciplinary Design, Analysis, and Optimization Tool Development Using a Genetic Algorithm; Structural Model Tuning Capability in an Object-Oriented Multidisciplinary Design, Analysis, and Optimization Tool; Extension of Ko Straight-Beam Displacement Theory to the Deformed Shape Predictions of Curved Structures; F-15B with Phoenix Missile and Pylon Assembly--Drag Force Estimation; Mass Property Testing of Phoenix Missile Hypersonic Testbed Hardware; ARMD Hypersonics Project Materials and Structures: Testing of Scramjet Thermal Protection System Concepts; High-Temperature Modal Survey of the Ruddervator Subcomponent Test Article; ARMD Hypersonics Project Materials and Structures: C/SiC Ruddervator Subcomponent Test and Analysis Task; Ground Vibration Testing and Model Correlation of the Phoenix Missile Hypersonic Testbed; Phoenix Missile Hypersonic Testbed: Performance Design and Analysis; Crew Exploration Vehicle Launch Abort System-Pad Abort-1 (PA-1) Flight Test; Testing the Orion (Crew Exploration Vehicle) Launch Abort System-Ascent Abort-1 (AA-1) Flight Test; SOFIA Flight-Test Flutter Prediction Methodology; SOFIA Closed-Door Aerodynamic Analyses; SOFIA Handling Qualities Evaluation for Closed-Door Operations; C-17 Support of IRAC Engine Model Development; Current Capabilities and Future Upgrade Plans of the C-17 Data Rack; Intelligent Data Mining Capabilities as Applied to Integrated Vehicle Health Management; STARS Flight Demonstration No. 2 IP Data Formatter; Space-Based Telemetry and Range Safety (STARS) Flight Demonstration No. 2 Range User Flight Test Results; Aerodynamic Effects of the Quiet Spike(tm) on an F-15B Aircraft; F-15 Intelligent Flight Controls-Increased Destabilization Failure; F-15 Integrated Resilient Aircraft Control (IRAC) Improved Adaptive Controller; Aeroelastic Analysis of the Ikhana/Fire Pod System; Ikhana: Western States Fire Missions Utilizing the Ames Research Center Fire Sensor; Ikhana: Fiber-Optic Wing Shape Sensors; Ikhana: ARTS III; SOFIA Closed-Door Flutter Envelope Flight Testing; F-15B Quiet Spike(TM) Aeroservoelastic Flight Test Data Analysis; and UAVSAR Platform Precision Autopilot Flight Results.

Stoliker, Patrick↗
NASA NTRS2016

Thermophysics Issues Relevant to High-Speed Earth Entry of Large Asteroids

Physics of atmospheric entry of meteoroids was an active area of research at NASA ARC up to the early 1970s (e.g., the oft-cited work of Baldwin and Sheaffer). However, research in the area seems to have ended with the Apollo program, and any ties with an active international meteor physics community seem to have significantly diminished thereafter. In the decades following the 1970s, the focus of entry physics at NASA ARC has been on improvement of the math models of shock-layer physics (especially in chemical kinetics and radiation) and thermal response of ablative materials used for capsule heatshields. With the overarching objectives of understanding energy deposition into the atmosphere and fragmentation, could these modern analysis tools and processes be applied to the problem of atmospheric entry of meteoroids as well? In the presentation we will explore: (i) the physics of atmospheric entries of meteoroids using our current state-of-the-art tools and processes, (ii) how multiple bodies interact, and (iii) the influence of wall blowing on flow dynamics.

Atmospheric Entry↗
DOE OSTI2020

Evaluation of Nuclear Spent Fuel Disposal in Clay-Bearing Rock - Process Model Development and Experimental Studies

The DOE R&D program under the Spent Fuel Waste Science Technology (SFWST) campaign has made key progress in modeling and experimental approaches towards the characterization of chemical and physical phenomena that could impact the long-term safety assessment of heat-generating nuclear waste disposition in deep clay/shale/argillaceous rock. International collaboration activities such as heater tests and postmortem analysis of samples recovered from these have elucidated key information regarding changes in the engineered barrier system (EBS) material exposed to years of thermal loads. Chemical and structural analyses of sampled bentonite material from such tests has as well as experiments conducted on these are key to the characterization of thermal effects affecting bentonite clay barrier performance and the extent of sacrificial zones in the EBS during the thermal period. Thermal, hydrologic, and chemical data collected from heater tests and laboratory experiments has been used in the development, validation, and calibration of THMC simulators to model near-field coupled processes. This information leads to the development of simulation approaches (e.g., continuum vs. discrete) to tackle issues related to flow and transport at various scales of the host-rock and EBS design concept. Consideration of direct disposal of large capacity dual-purpose canisters (DPCs) as part of the back-end SNF waste disposition strategy has generated interest in improving our understanding of the effects of elevated temperatures on the EBS design. This is particularly important for backfilled repository concepts where temperature plays a key role in the EBS behavior and long-term performance. This report describes multiple R&D efforts on disposal in argillaceous geologic media through development and application of coupled THMC process models, experimental studies on clay/metal/cement barrier and host-rock (argillite) material interactions, molecular dynamic (MD) simulations of water transport during (swelling) clay dehydration, first-principles studies of metaschoepite (UO 2 corrosion product) stability, and advances in thermodynamic plus surface complexation database development. Drift-scale URL experiments provides key data for testing hydrological-chemical (HC) model involving strong couplings of fluid mixing and barrier material chemical interactions. The THM modeling focuses on heater test experiments in argillite rock and gas migration in bentonite as part of international collaboration activities at underground research laboratories (URLs). In addition, field testing at an URL involves in situ analysis of fault slip behavior and fault permeability. Pore-scale modeling of gas bubble migration is also being investigated within the gas migration modeling effort. Interaction experiments on bentonite samples from heater test under ambient and elevated temperatures permit the evaluation of ion exchange, phase stability, and mineral transformation changes that could impact clay swelling. Advances in the development, testing, and implementation of a spent nuclear fuel (SNF) degradation model coupled with canister corrosion focus on the effects of hydrogen gas generation and its integration with Geologic Disposal Safety Assessment (GDSA). GDSA integration activities includes evaluation of groundwater chemistries in shale formations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Ambient Mass Spectrometry Rapid Analysis Methods for Trace Inorganics

The ability to rapidly detect and characterize the chemistry of trace quantities of inorganic species has multiple potential applications, including nuclear safeguards, nuclear forensics, and environmental monitoring. Some mass spectrometric methods currently exist, but they are costly and time-intensive, often destroying chemical information in the process of ionization. Ambient mass spectrometry is a relatively new analytical method in which samples are introduced to the mass spectrometer from atmospheric pressure, rather than from high vacuum. Ambient MS can operate with gentler ionization methods such as electrospray ionization (ESI) and paper-spray ionization (PSI), reducing fragmentation and preserving the chemical information of the analyte. This may be useful for determining the intended purpose of material in a sample. Strontium, part of nuclear fallout, is analyzed here to test these new analytical methods for viability. Electrospray ionization mass spectrometry functions by spraying the sample as a solution through a needle charged to a few kV. A nebulizing gas flows out along with the sample to create the spray before droplets enter a drying chamber with heated drying gas to remove the solvent molecules. From there bare analyte ions enter the mass spectrometer. This method has the advantage of relatively fast sample preparation and stable ionization. More stable ionization produces higher-quality data. Paper-spray ionization mass spectrometry operates by applying sample to a paper triangle. The paper triangle is then electrified in a metal clamp to a few kV before spray solvent is applied. The spray solvent transports analyte in the sample to the tip, where it is ionized and enters the mass spectrometer. One advantage of this method is reduced sample preparation - an analyst can even swipe a surface and cut a triangle directly from the swipe. The data analysis serves to rapidly process tens of samples all at once. The mass spectrometer outputs a file containing a few hundred spectra for each sample. The pipeline processes each one to identify peaks of interest. A full palette of data analysis metrics are generated, including plots of the raw data and plots of calculated values such as isotopic ratios. The pipeline filters the raw data to remove noise and background peaks, as well as peaks representing detector saturation. A heat map is generated to show the overall spectrum in mass-time- intensity space. Post-processing, we obtained the desired calibration curves, demonstrating that both ESI-MS and PSI-MS are viable methods for quantifying trace amounts of inorganics while retaining their chemical speciation information. ESI-MS demonstrated a linear response region of 100 ppb to 20 ppm, with a limit-of-detection of around 100 ppb. At top left is an example spectrum with the {sup 88}SrNO{sub 3} peak identified to show the retention of chemical speciation. PSI-MS showed a linear response region of around 1 ppb to 1 ppm, with a limit-of-detection of near 1 ppb. PSI-MS produced more erratic results than ESI-MS, likely due to the variability in ionization resulting from manual positioning of the paper triangle near the MS inlet. Future efforts will focus on improving the repeatability of PSI-MS as well as analyzing other species of interest such as cerium and uranium. Improvements will also be made to create more reliable data extraction and intelligent data filtering.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

University of Missouri Research Reactor (MURR) LEU Fuel Fluid-Structure Interaction Analysis

The University of Missouri Research Reactor (MURR ® ) is one of five U.S. high performance research reactors (USHPRR), plus one critical facility, that are actively collaborating with the National Nuclear Security Administration (NNSA) Material Management and Minimization (M 3 ) Reactor Conversion Program to convert from highly enriched uranium (HEU, ≥ 20 wt.% U-235) to low-enriched uranium (LEU, < 20 wt.% U-235) fuel. A new type of LEU fuel with very high density, based on an alloy of uranium and 10 weight percent molybdenum (U-10Mo), is expected to allow the conversion to LEU of USHPRR that have been found unable to be converted with previously qualified uranium silicide-aluminum (U 3 Si 2 -Al) dispersion fuel. MURR has been working with the USHPRR Reactor Conversion (RC) Pillar at Argonne National Laboratory to perform fuel element design and fuel cycle performance analyses, steady-state thermal hydraulics safety analyses, and accident safety analyses in preparation for the conversion of MURR and to support a preliminary Safety Analysis Report (SAR) for conversion to LEU fuel. In this work, Fluid-structure interaction (FSI) analysis at the fuel element level, as compared to the fuel plate level of the previous work. is performed which models all components of the MURR LEU fuel element, including fuel plates and the supporting structures e.g., side plates, end fittings, and combs. Therefore, the effect of supporting structures on the coolant flow distribution, the fuel plate deflection, and the resulting coolant channel gap reduction can be evaluated. In addition to the nominal element geometry and flow rate, the tolerances in the geometry dimensions of coolant channel and plate thickness, the effect of a comb on plate deflection, and the uncertainty of the flow rate per element are considered in this work. The effect of comb on plate displacement is quantified through two bounding cases: the case assuming a perfect bond between the comb and plates and the case neglecting the comb effect. Note that in this analysis, the FSI has been decoupled from the other structural effects caused by irradiation (e.g., swelling and irradiation creep). Assessment of combined effects is planned for a later stage of this project.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Novel Mechanisms for the Formation of Dislocation Cell Patterns in BCC Metal

In this study, we present the first simulation results of the formation of dislocation cell wall microstructures in tantalum subjected to shock loading. Dislocation patterns and cell wall formation are important to understanding the mechanical properties of the materials in which they spontaneously arise, and yet the processing and self-assembly mechanisms leading to their formation are poorly understood. By employing transmission electron microscopy and discrete dislocation dynamics, we propose a new mechanism involving coplanar dislocations and pseudo-dipole mixed dislocation arrays that is essential to the pattern formation process. Our large-scale 3D DDD simulations demonstrate the self-organization of dislocation networks into cell walls in deformed BCC metal (tantalum) persisting at strain ε = 20%. The simulation analysis captures several crucial aspects of how the dislocation cell pattern affects metal plasticity, as observed in experiments. Although experimental evidence is inconclusive regarding whether cell wall formation takes place at the shock front, after the shock, during release, or when the sample has had enough time to relax post-recovery, our simulations indicate cell wall formation occurs after the shock and before release. The extended Taylor hardening composite model effectively considers the non-uniform dislocation density when cell walls form and accurately describes the corresponding flow stress.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Performance tests of a gas blending system based on mass-flow controllers

The system provides many of the gas mixtures required for calibrating analytical instruments used in engine exhaust gas analysis and is capable of blending from one to four additive gases with either of two carrier gases in concentrations from 20 ppm to 50%. Two mixtures can be flowing simultaneously. Performance tests were made to determine the stability accuracy of the system while it was in limited use for a period of 2 years. The accuracy of the blender was measured by comparing binary mixtures from the blender with National Bureau of Standards standard reference materials. Analytical instruments were used to make these comparisons. The expected accuracy of 2% was obtained in some of the tests, by the majority showed a systematic biAs of -5%. Although these tests revealed subtle instabilities in the flow controllers that contributed to the random scatter of data, the accuracy of wet test meters and bubble flowmeters used for calibration is marginal for this purpose. A simple procedure is recommended that should enable the full potential of the system to be realized.

Evans, A., Jr.↗
NASA NTRS1994

Shear stabilization of solidification fronts

A linear-stability analysis is performed on the interface formed during the directional solidification of a dilute binary alloy in the presence of a time-periodic flow. In general, the flow is generated by the elliptical motion of the crystal parallel to the interface. The presence of the flow can either stabilize or destabilize the system relative to the case without flow with the result depending on the frequency and amplitude of the oscillations as well as the properties of the material. In the particular, we find that the morphological instability present in the absence of flow can be entirely suppressed with respect to disturbances of the same frequency as the oscillation.

Davis, Stephen H.↗
NASA NTRS1996

The Properties of the local Interstellar Medium and the Interaction of the Stellar Winds of epsilon Indi and lambda Andromedae with the Interstellar Environment

We present new observations of the Ly alpha lines of Epsilon Indi (K5 5) and A Andromedae (G8 4-3 + ?) These data were obtained by the Goddard High Resolution Spectrograph (GHRS) on the Hubble Space Telescope. Analysis of the interstellar H 1 and D 1 absorption lines reveals that the velocities and temperatures inferred from the H 1 lines are inconsistent with the parameters inferred from the D 1 lines, unless the H 1 absorption is assumed to be produced by two absorption components. One absorption component is produced by interstellar material. For both lines of sight observed, the velocity of this component is consistent with the velocity predicted by the local flow vector. For the Epsilon Indi data, the large velocity separation between the stellar emission and the interstellar absorption allows us to measure the H 1 column density independent of the shape of the intrinsic stellar Ly alpha profile. This approach permits us to quote an accurate column density and to assess its uncertainty with far more confidence than in previous analyses, for which the errors were dominated by uncertainties in the assumed stellar profiles.

Wood, Brian E.↗
NASA NTRS2008

A Thermal Precipitator for Fire Characterization Research

Characterization of the smoke from pyrolysis of common spacecraft materials provides insight for the design of future smoke detectors and post-fire clean-up equipment on the International Space Station. A thermal precipitator was designed to collect smoke aerosol particles for microscopic analysis in fire characterization research. Information on particle morphology, size and agglomerate structure obtained from these tests supplements additional aerosol data collected. Initial modeling for the thermal precipitator design was performed with the finite element software COMSOL Multiphysics, and includes the flow field and heat transfer in the device. The COMSOL Particle Tracing Module was used to determine particle deposition on SEM stubs which include TEM grids. Modeling provided optimized design parameters such as geometry, flow rate and temperatures. Microscopy results from fire characterization research using the thermal precipitator are presented.

Meyer, Marit↗
NASA NTRS2019

Marshall Space Flight Center Faculty Fellowship Program

The 2018 Marshall Faculty Fellowship Program involved 16 faculty in the laboratories and departments at Marshall Space Flight Center. These faculty engineers and scientists worked with NASA collaborators on NASA projects, bringing new perspectives and solutions to bear. This Technical Memorandum is a compilation of the research reports of the 2018 Marshall Faculty Fellowship program, along with the Program Announcement (Appendix A) and the Program Description (Appendix B). The research affected the following five areas: (1) Materials (2) Propulsion (3) Spacecraft systems (4) Vehicle systems (5) Space science The materials investigations includes Lunar Regolith for habitats, friction stir welding, and composite joints. Propulsion studies included cryogenic tank pressurization, transmitted torque in a cryogenic environment, and condensation in presence of noncondensables, Europa Lander Deorbit Stage, and catalyst development for a hybrid rocket. Spacecraft systems include wireless sensor networks and printed electronic inks. Vehicle systems studies were performed on Mars ascent vehicle analysis, architecture models, and Space Launch System manual steering. Space science studies included planetary lava flow. Our goal is to continue the Marshall Faculty Fellowship Program funded by Center internal project offices. Faculty Fellows in this 2018 program represented the following minority-serving institutions: Alabama A&M University, Southern University, Delgado Community College, and Dillard University.

Six, N. F.↗
NASA NTRS1995

Analytical studies of hypersonic viscous dissociated flows

This project primarily dealt with integral boundary-layer solution techniques that are directly applicable to the problem of determining aerodynamic heating rates of hypersonic vehicles like X-33 in the vicinity of stagnation points, windward centerlines, and swept-wing leading edges. The analyses include effects of finite-rate gas chemistry across the boundary layer and finite-rate catalysis of atom recombination at the surface. A new approach for combining the insight afforded by integral boundary-layer analysis with comprehensive (and expensive) computational fluid dynamic (CFD) flowfield solutions of the thin-layer Navier-Stokes equations was developed. The approach extracts CFD derived quantities at the wall and at the boundary layer edge for inclusion in a post-processing boundary-layer analysis. The post-processed data base allows a designer at a workstation to ask and answer the following questions: (1) How much does the heating change if one uses a thermal protection system (TPS) with different catalytic properties than was used in the original CFD solution? (2) How does the heating change when one moves the interface of two different TPS materials with different catalytic efficiencies for the purpose of reducing vehicle weight and expense? The answer to the second question is particularly critical, because abrupt changes from low catalytic efficiency to high catalytic efficiency can lead to localized increase in heating which exceeds the usually conservative estimate provided by a fully catalytic wall assumption. A secondary issue that was addressed involves the prediction of heating levels in the vicinity of sharp corners that are transverse to or aligned with the flow. An example of the first case is heating at the edge of the COMET reentry module. An example of the second case is heating along the side edge of a deflected body flap on an SSV. The difficulty of putting grids in the vicinity of such corners with continuously varying metric coefficients causes problems in CFD predictions. A preliminary theory for prediction that says the heating at the corner is X percent of the heating N boundary-layer thicknesses inboard was developed. This will prove useful to analytically evaluate the possible benefits of rounding the edges of these configurations and defining how much rounding is sufficient.

Inger, George R.↗
DOE OSTI2021

Aerosol Deposition Inside a Spent Fuel Transportation and Storage Canister (Interim Report)

This report documents the progress in preparing the ANSYS/Fluent ® and MELCOR models to perform characterization studies of aerosols dispersal and deposition within a select spent fuel cask system. Steady state thermal-hydraulic cask response is modeled with both codes, at present, while the MELCOR source code is being modified to allow imposed thermal-hydraulic conditions with aerosol physics calculations. This will allow the MELCOR model to assume the thermal-hydraulic calculation from the ANSYS/Fluent ® , while only computing the aerosol physics. Detailed results are presented on the thermal-hydraulic analysis of the MAGNASTOR ® cask for the current ANSYS/Fluent ® model, with convergent conditions observed over two fidelities. While the MELCOR computation computes the steady state conditions, they differ sufficiently from that computed with ANSYS/Fluent ® . The MELCOR analysis include a set of UO 2 sources to investigate system response for interim reporting. The airborne concentrations and evolving distributions are presented. Model development is anticipated to continue as additional components impacting flow conditions or aerosol deposition within the MAGNASTOR ® cask and Westinghouse fuel assemblies are identified.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Design and Optimization of Structured Multi-Functional Trapping Catalysts for Conversion of Hydrocarbons and NOx from Diesel and Advanced Combustion Engines

Oxides of nitrogen in the form of nitric oxide (NO) and nitrogen dioxide (NO 2 ) commonly referred to as NOx, is one of the two chemical precursors that lead to ground-level ozone, a ubiquitous air pollutant in urban areas. A major source of NOx is generated by equipment and vehicles powered by diesel engines, which have a combustion exhaust that contains NOx in the presence of excess O 2 . Vehicular emission control catalysts are ineffective in eliminating CO, hydrocarbons, and NOx during engine cold-start when exhaust temperatures are below 200°C. The objective of the project was to develop and demonstrate a multi-functional, catalyzed trap that enables vehicles with advanced combustion strategies to meet Tier 3 emissions standards while achieving the 150 °C challenge for sustained co-oxidation of HCs and CO and ≥90% NO trapping and release during warmup. Specifically, the multi-functional Lean HC+NOx (LHCNT) was developed for application in the exhaust aftertreatment of conventional diesel engines and engines having low temperature combustion (LTC) regimes. Activities included the design and synthesis of adsorbents and catalysts, screening and evaluation. Passive NOx absorbers (PNA), hydrocarbon (HC) traps, and oxidation catalysts (OC) were evaluated for use in series or as integrated devices. Predictive tools were developed utilizing the characterization and analysis of these materials, and an emission system was designed and optimized utilizing the catalyst systems. Microkinetic models were developed for the PNA for the simple NO-only feed and complex feed containing CO, H 2 , and model hydrocarbons (ethylene and dodecane). A first-principles, mechanistic-based model of the PNA was developed which utilized molecular-scale estimates (density functional theory) of energy barriers, mechanistic-based kinetics and realistic treatments of the flow and transport processes. Two new oxidation catalysts were developed (PdCu alloy, mixed copper-ceria-cobalt oxide), both of which significantly lessened the detrimental inhibition by CO on hydrocarbon and NO oxidation. A method for lessening the detrimental impact of CO on PNA activity was developed that involves use of an oxidation catalyst upstream of the PNA. The SwRI Ectolab TM burner system was applied to evaluate the baseline PNA material and confirmed performance comparable to the benchflow PNA studies using simulated exhaust. Spatially-resolved mass spectrometry (SpaciMS) was used to measure the transient spatial profiles of reacting species spanning the length of a three-function LHCNT containing PNA, HCT, and OC. The findings from this study provide diesel vehicle and catalyst companies valuable information to develop more cost effective emission control catalysts which helps to expand the use of more fuel efficient diesel power. The fundamental modeling and experimental tools and findings from this project can be applied to catalyst technologies used in the energy and chemical industries. The project led to 14 publications in the peer-reviewed literature with 2 additional currently under review. Finally, the project also led to training of several doctoral students who were placed in research jobs in industry and academia. Specifically, Mugdha Ambast (UH) has joined Cummins, Kevin Gu (UVa) has joined GM, and Abhay Gupta (UH) is to join Caterpillar.

02 PETROLEUM↗
DOE OSTI2022

Design and Optimization of Structured Multi-Functional Trapping Catalysts for Conversion of Hydrocarbons and NOx from Diesel and Advanced Combustion Engines

Oxides of nitrogen in the form of nitric oxide (NO) and nitrogen dioxide (NO 2 ) commonly referred to as NOx, is one of the two chemical precursors that lead to ground-level ozone, a ubiquitous air pollutant in urban areas. A major source of NOx is generated by equipment and vehicles powered by diesel engines, which have a combustion exhaust that contains NOx in the presence of excess O 2 . Vehicular emission control catalysts are ineffective in eliminating CO, hydrocarbons, and NO x during engine cold-start when exhaust temperatures are below 200°C. The objective of the project was to develop and demonstrate a multi-functional, catalyzed trap that enables vehicles with advanced combustion strategies to meet Tier 3 emissions standards while achieving the 150 °C challenge for sustained co-oxidation of HCs and CO and ≥90% NO trapping and release during warmup. Specifically, the multi-functional Lean HC+NOx (LHCNT) was developed for application in the exhaust aftertreatment of conventional diesel engines and engines having low temperature combustion (LTC) regimes. Activities included the design and synthesis of adsorbents and catalysts, screening and evaluation. Passive NOx absorbers (PNA), hydrocarbon (HC) traps, and oxidation catalysts (OC) were evaluated for use in series or as integrated devices. Predictive tools were developed utilizing the characterization and analysis of these materials, and an emission system was designed and optimized utilizing the catalyst systems. Microkinetic models were developed for the PNA for the simple NO-only feed and complex feed containing CO, H 2 , and model hydrocarbons (ethylene and dodecane). A first-principles, mechanistic-based model of the PNA was developed which utilized molecular-scale estimates (density functional theory) of energy barriers, mechanistic-based kinetics and realistic treatments of the flow and transport processes. Two new oxidation catalysts were developed (PdCu alloy, mixed copper-ceria-cobalt oxide), both of which significantly lessened the detrimental inhibition by CO on hydrocarbon and NO oxidation. A method for lessening the detrimental impact of CO on PNA activity was developed that involves use of an oxidation catalyst upstream of the PNA. The SwRI Ectolab TM burner system was applied to evaluate the baseline PNA material and confirmed performance comparable to the benchflow PNA studies using simulated exhaust. Spatially-resolved mass spectrometry (SpaciMS) was used to measure the transient spatial profiles of reacting species spanning the length of a three-function LHCNT containing PNA, HCT, and OC. The findings from this study provide diesel vehicle and catalyst companies valuable information to develop more cost effective emission control catalysts which helps to expand the use of more fuel efficient diesel power. The fundamental modeling and experimental tools and findings from this project can be applied to catalyst technologies used in the energy and chemical industries. The project led to 14 publications in the peer-reviewed literature with 2 additional currently under review. Finally, the project also led to training of several doctoral students who were placed in research jobs in industry and academia. Specifically, Mugdha Ambast (UH) has joined Cummins, Kevin Gu (UVa) has joined GM, and Abhay Gupta (UH) is to join Caterpillar.

42 ENGINEERING↗
NASA NTRS1996

Kinetics of Static Strain Aging in Polycrystalline NiAl-based Alloys

The kinetics of yield point return have been studied in two NiAl-based alloys as a function of aging time at temperatures between 300 and 700 K. The results indicate that the upper yield stress increment, Delta sigma(sub u) (i.e., stress difference between the upper yield point and the final flow stress achieved during prestraining), in conventional purity (CP-NiAl) and in high purity carbon-doped (NiAl-C) material first increased with a t(exp 2/3) relationship before reaching a plateau. This behavior suggests that a Cottrell locking mechanism is the cause for yield points in NiAl. In addition, positive y-axis intercepts were observed in plots of Delta sigma(sub u) versus t(exp 2/3) suggesting the operation of a Snoek mechanism. Analysis according to the Cottrell Bilby model of atmosphere formation around dislocations yields an activation energy for yield point return in the range 70 to 76 kJ/mol which is comparable to the activation energy for diffusion of interstitial impurities in bcc metals. It is, thus, concluded that the kinetics of static strain aging in NiAl are controlled by the locking of dislocations by Cottrell atmospheres of carbon atoms around dislocations.

Weaver, M. L.↗