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All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Engineered Multifunctional Surfaces for Fluid Handling

Designs incorporating variations in capillary geometry and hydrophilic and/or antibacterial surface properties have been developed that are capable of passive gas/liquid separation and passive water flow. These designs can incorporate capillary grooves and/or surfaces arranged to create linear and circumferential capillary geometry at the micro and macro scale, radial fin configurations, micro holes and patterns, and combinations of the above. The antibacterial property of this design inhibits the growth of bacteria or the development of biofilm. The hydrophilic property reduces the water contact angle with a treated substrate such that water spreads into a thin layer atop the treated surface. These antibacterial and hydrophilic properties applied to a thermally conductive surface, combined with capillary geometry, create a novel heat exchanger capable of condensing water from a humid, two-phase water and gas flow onto the treated heat exchanger surfaces, and passively separating the condensed water from the gas flow in a reduced gravity application. The overall process to generate the antibacterial and hydrophilic properties includes multiple steps to generate the two different surface properties, and can be divided into two major steps. Step 1 uses a magnetron-based sputtering technique to implant the silver atoms into the base material. A layer of silver is built up on top of the base material. Completion of this step provides the antibacterial property. Step 2 uses a cold-plasma technique to generate the hydrophilic surface property on top of the silver layer generated in Step 1. Completion of this step provides the hydrophilic property in addition to the antibacterial property. Thermally conductive materials are fabricated and then treated to create the antibacterial and hydrophilic surface properties. The individual parts are assembled to create a condensing heat exchanger with antibacterial and hydrophilic surface properties and capillary geometry, which is capable of passive phase separation in a reduced gravity application. The plasma processes for creating antibacterial and hydrophilic surface properties are suitable for applications where water is present on an exposed surface for an extended time, such that bacteria or biofilms could form, and where there is a need to manage the water on the surface. The processes are also suitable for applications where only the hydrophilic property is needed. In particular, the processes are applicable to condensing heat exchangers (CHXs), which benefit from the antibacterial properties as well as the hydrophilic properties. Water condensing onto the control surfaces of the CHX will provide the moist conditions necessary for the growth of bacteria and the formation of biofilms. The antibacterial properties of the base layer (silver) will mitigate and prevent the growth of bacteria and formation of biofilms that would otherwise reduce the CHX performance. In addition, the hydrophilic properties reduce the water contact angle and prevent water droplets from bridging between control surfaces. Overall, the hydrophilic properties reduce the pressure drop across the CHX.

Thomas, Chris↗
DOE OSTI2020

Thermodynamics and Mechanism of a Photocatalyzed Stereoselective [2 + 2] Cycloaddition on a CdSe Quantum Dot

Colloidal quantum dots (QDs) have shown promise over the last few decades for a range of applications including single photon emission, in vivo imaging and photocatalysis. Recent experiments demonstrated that QDs impart stereoselectivity to triplet excited-state [2+2] cycloaddition reactions of alkenes photocatalyzed by the QD through self-assembly of the reagent molecules on the QD surface, but these experiments did not reveal the precise geometries of surface-bound molecules or their interactions with surface atoms. Here, a theoretical mechanistic approach is used to study such interactions for [2+2] cycloadditions of 4-vinylbenzoic acid derivatives on CdSe QDs. Spin-polarized periodic density functional theory (DFT) and non-periodic DFT calculations are deployed to determine the origin of the selectivity for the syn diastereomer of the resultant tetrasubstituted cyclobutane product via atomistic modelling of the CdSe surface and substrates, and determination of the thermodynamic energies of reactions for each step, the intermolecular interactions between the substrates, and the triplet state reaction paths. The calculations indicate that reaction selectivity arises from preferred binding of pairs through intermolecular interactions of substrate molecules on the QD surface in a syn-precursor structure followed by dimerization after triplet excitation. Further, these mechanisms are generalizable to other metal-enriched QD surfaces that have a similar surface structure to CdSe, such as InSe or CdTe. Design principles for anti diastereomer derivatives are also discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Two-Dimensional Ffowcs Williams/Hawkings Equation Solver

FWH2D is a Fortran 90 computer program that solves a two-dimensional (2D) version of the equation, derived by J. E. Ffowcs Williams and D. L. Hawkings, for sound generated by turbulent flow. FWH2D was developed especially for estimating noise generated by airflows around such approximately 2D airframe components as slats. The user provides input data on fluctuations of pressure, density, and velocity on some surface. These data are combined with information about the geometry of the surface to calculate histories of thickness and loading terms. These histories are fast-Fourier-transformed into the frequency domain. For each frequency of interest and each observer position specified by the user, kernel functions are integrated over the surface by use of the trapezoidal rule to calculate a pressure signal. The resulting frequency-domain signals are inverse-fast-Fourier-transformed back into the time domain. The output of the code consists of the time- and frequency-domain representations of the pressure signals at the observer positions. Because of its approximate nature, FWH2D overpredicts the noise from a finite-length (3D) component. The advantage of FWH2D is that it requires a fraction of the computation time of a 3D Ffowcs Williams/Hawkings solver.

Lockard, David P.↗
NASA NTRS2004

Surface Generation and Cartesian Mesh Support

This document serves as the final report for the grant titled Surface Generation and Cartesian Mesh Support . This completed work was in algorithmic research into automatically generating surface triangulations from CAD geometries. NASA's OVERFLOW and Cart3D simulation packages use surface triangulations as an underlying geometry description and the ability to automatically generate these from CAD files (without translation) substantially reduces both the wall-clock time and expertise required to get geometry out of CAD and into mesh generation. This surface meshing was exercised greatly during the Shuttle investigation during the last year with success. The secondary efforts performed in this grant involve work on a visualization system cut-cell handling for Cartesian Meshes with embedded boundaries.

Haimes, Robert↗
NASA NTRS1991

Cleavage crystallography of liquid metal embrittled aluminum alloys

The crystallography of liquid metal-induced transgranular cleavage in six aluminum alloys having a variety of microstructures has been determined via Laue X-ray back reflection. The cleavage crystallography was independent of alloy microstructure, and the cleavage plane was 100-plane oriented in all cases. It was further determined that the cleavage crystallography was not influenced by alloy texture. Examination of the fracture surface indicated that there was not a unique direction of crack propagation. In addition, the existence of 100-plane cleavage on alloy 2024 fracture surfaces was inferred by comparison of secondary cleavage crack intersection geometry on the 2024 surfaces with the geometry of secondary cleavage crack intersections on the test alloys.

Reynolds, A. P.↗
DOE OSTI2023

A Lizard-inspired Tube Inspector (LTI) Robot

This final report summarizes the research findings of the current project. This project is a collaboration between New Mexico State University (NMSU) as a lead (Recipient) and Arizona State University (ASU) as a Co-Recipient. Tubular structures are common components of boilers and heat exchangers in power plants. Over time, these components may suffer corrosion, cracks, and stress-corrosion cracks in either the body or the welded connections. A single tube leakage can cause an outage of several weeks. Regular inspection is a key safety factor when ensuring that power plants are maintained in reliable, operational condition. This inspection, however, is challenging, time-consuming, and in many cases impossible due to accessibility issues and safety concerns. Recent developments in robotic-based inspection can offer a great solution. Hard-to-reach places can be inspected without overhauling the unit, saving time and cost. Although several robots have been designed and implemented successfully for inspecting power plant components, in particular tubular structures, their mobility and flexibility are limited. Most of these robots use wheels for mobility which reduces their maneuverability of these robots. Moreover, they usually use magnets to attach to tubes which will not work on tubes with non-ferromagnetic materials. These robots usually carry measurement tools for a particular non-destructive testing (NDT) method such as ultrasound testing (UT) that requires a couplant to perform a point-by-point (scanning) inspection of the tubular structure. In this project, we developed a versatile lizard-inspired tube inspector (LTI) robot with embedded inspection sensing components for tube inspection which removes the need for point-by-point scanning of tube surface for crack and corrosion detection. Inspired by a “lizard”, the novelty of the current project is the integration of couplant-free ultrasound sensing and transmission, advanced data-driven defect detection and imaging, and friction-based mechanical mobility components in a single robot to eliminate a need for smooth surfaces and simple geometry for mobility and scanning. The LTI robot could replace the wheel-based approach with friction-based mobility to significantly increase the flexibility and maneuverability of the robot. The LTI robot can get into a power plant unit, such as a boiler, from a small area allowing it to access a component of interest for inspection (e.g., move on OD, curved and flat surfaces, non-ferromagnetic or ferromagnetic materials, and tubes with rough surfaces and complex geometries). Additionally, an advanced data-driven method using ultrasound data was pioneered to allow the robot to detect defects in the entire area between the robot’s multi-functional mobility system (grippers). Integrating a couplant-free ultrasound sensing in the robot’s grippers as well as using advanced data-driven methods allowed the LTI to detect defects in the entire cross-section of a tube using its grippers when stationary and when mobile.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS2000

Fatigue, Creep-Fatigue, and Thermomechanical Fatigue Life Testing of Alloys

The fatigue crack initiation resistance of an alloy is determined by conducting a series of tests over a range of values of stress amplitude or strain range. The observed number of cycles to failure is plotted against the stress amplitude or strain range to obtain a fatigue curve. The fatigue properties quoted for an alloy are typically the constants used in the equation(s) that describe the fatigue curve. Fatigue lives of interest may be as low as 10(exp 2) or higher than 10(exp 9) cycles. Because of the enormous scatter associated with fatigue, dozens of tests may be needed to confidently establish a fatigue curve, and the cost may run into several thousands of dollars. To further establish the effects on fatigue life of the test temperature, environment, alloy condition, mean stress effects, creep-fatigue effects, thermomechanical cycling, etc. requires an extraordinarily large and usually very costly test matrix. The total effort required to establish the fatigue resistance of an alloy should not be taken lightly. Fatigue crack initiation tests are conducted on relatively small and presumed to be initially crack-free, samples of an alloy that are intended to be representative of the alloy's metallurgical and physical condition. Generally, samples are smooth and have uniformly polished surfaces within the test section. Some may have intentionally machined notches of well-controlled geometry, but the surface at the root of the notch is usually not polished. The purpose of polishing is to attain a reproducible surface finish. This is to eliminate surface finish as an uncontrolled variable. Representative test specimen geometries will be discussed later. Test specimens are cyclically loaded until macroscopically observable cracks initiate and eventually grow to failure. Normally, the fatigue failure life of a specimen is defined as the number of cycles to separation of the specimen into two pieces. Alternative definitions are becoming more common, particularly for low-cycle fatigue testing, wherein some prescribed indication of impending failure due to cracking is adopted. Specific criteria will be described later. As a rule, cracks that develop during testing are not measured nor are the test parameters intentionally altered owing to the presence of cracking.

Halford, Gary R.↗
NASA NTRS1996

Multigrid Methods for EHL Problems

In many bearings and contacts, forces are transmitted through thin continuous fluid films which separate two contacting elements. Objects in contact are normally subjected to friction and wear which can be reduced effectively by using lubricants. If the lubricant film is sufficiently thin to prevent the opposing solids from coming into contact and carries the entire load, then we have hydrodynamic lubrication, where the lubricant film is determined by the motion and geometry of the solids. However, for loaded contacts of low geometrical conformity, such as gears, rolling contact bearings and cams, this is not the case due to high pressures and this is referred to as Elasto-Hydrodynamic Lubrication (EHL) In EHL, elastic deformation of the contacting elements and the increase in fluid viscosity with pressure are very significant and cannot be ignored. Since the deformation results in changing the geometry of the lubricating film, which in turn determines the pressure distribution, an EHL mathematical model must simultaneously satisfy the complex elasticity (integral) and the Reynolds lubrication (differential) equations. The nonlinear and coupled nature of the two equations makes numerical calculations computationally intensive. This is especially true for highly loaded problems found in practice. One novel feature of these problems is that the solution may exhibit sharp pressure spikes in the outlet region. To this date both finite element and finite difference methods have been used to solve EHL problems with perhaps greater emphasis on the use of the finite difference approach. In both cases, a major computational difficulty is ensuring convergence of the nonlinear equations solver to a steady state solution. Two successful methods for achieving this are direct iteration and multigrid methods. Direct iteration methods (e.g Gauss Seidel) have long been used in conjunction with finite difference discretizations on regular meshes. Perhaps one of the best examples of the application of such methods is the recent Effective Influence Method of Dowson and Wang. Multigrid methods have also been used with great success by Venner and Venner and Lubrecht with a good summary being given by Venner. As both these finite difference discretization based approaches appear to provide an efficient way of solving EHL problems, it is important to understand their relative merits. This paper is a first attempt at providing such an understanding in the context of EHL point contact problem, (contact of two spheres), in which the contact zone is a point and an ellipse or circle for unloaded and loaded dry contacts respectively. Since the film thickness and the contact width are generally small compared to the local radius of curvature of the two surfaces, the reduced geometry of the surfaces in the contact area can be accurately approximated to the contact between a paraboloid and a flat surface. The layout of the remainder of this paper is as follows. In section 2 we introduce the form of the equations to be solved. The Effective Influence Newton Method is described in Section 3 while Section 4 describes the Multigrid method to be used. Sections 5 and 6 describe the test problems to be used in the comparison between the two methods and compare the performance of the two methods. Section 7 concludes the paper with an argument of the two methods and suggests some future research directions.

Nurgat, Elyas↗
NASA NTRS1991

Theoretical characterization of the potential energy surface for the reversible reaction H + O2 yields HO2(asterisk) yields OH + O. III - Computed points to define a global potential energy surface

Computed energies and geometries are reported which, combined with previously published calculations, permit a global representation of the potential energy surface for the reaction H + O2 yields HO2(asterisk) yields OH + O. These new calculations characterize the potential energy surface (PES) for all H atom angles of approach to O2 and for the region of the inner repulsive wall. The region of the T-shaped H-O2 exchange saddle point is connected with the constrained energy minimum (CEM) path, and a new collinear H-O2 exchange saddle point is characterized which lies only 9 kcal/mol above the H + O2 asymptote. A vibrational analysis which utilizes local cubic and quartic polynomial representations of the PES along the CEM path has been carried out. Optimal geometries, energies, and harmonic frequencies are reported along with anharmonic analyses for the O2 and OH asymptotes and for the HO2 minimum region of the PES.

Walch, Stephen P.↗
DOE OSTI2022

Internal 2-D Surface Temperature Measurements for Large Complex Geometries

For 2D-temperature monitoring applications, a variant of EIT (Electrical Impedance Tomography) is evaluated computationally in this work. Literature examples of poor sensor performance in the center of the 2D domains away from the side electrodes motivated this study which seeks to overcome some of the previously noted shortcomings. In particular, the use of ‘sensing skins’ with novel tailored baseline conductivities were examined using the EIDORS package for EIT. It was found that the best approach for detecting a hot spot depends on several factors such as the current injection (stimulation) patterns, the measurement patterns, and the reconstruction algorithms. For a well-performing combination of these factors, tailored baseline conductivities were assessed and compared to the baseline uniform conductivity. It was discovered that for some EIT applications, a tailored distribution needs to be smooth and that sudden changes in the conductivity gradients should be avoided. Still, the benefits in terms of improved EIT performance were small for conditions for which the EIT measurements had been ‘optimized’ for the uniform baseline case. Within the limited scope of this study, only two specific cases showed benefits from tailored distributions. For one case, a smooth tailored distribution with increased baseline conductivity in the center provided a better separation of two centrally located hot spots. For another case, a smooth tailored distribution with reduced conductivity in the center provided better estimates of the magnitudes of two hot spots near the center of the sensing skin.

47 OTHER INSTRUMENTATION↗
NASA NTRS1983

Incorporating geometric and radiative effects into infrared scanning computer analysis

A NASA program, the SILTS experiment (Shuttle Infrared Leeside Temperature Sensing) will utilize an infrared scanning system mounted at the tip of the vertical stabilizer to remotely measure the surface temperature of the leeside of the Space Shuttle during entry from orbit. Scans of the fuselage and one wing will be made alternately. The experiment will correlate real full scale data to ground-based information. In order to quantitatively assess the temperature profile of the surface, an algorithm is required which incorporates the Space Shuttle shape, location of specific materials on the surface, and the measurement geometry between the camera and the surface. This paper will discuss the algorithm.

Myrick, D. L.↗
NASA NTRS2010

Intelligent Patching of Conceptual Geometry for CFD Analysis

The iPatch computer code for intelligently patching surface grids was developed to convert conceptual geometry to computational fluid dynamics (CFD) geometry (see figure). It automatically uses bicubic B-splines to extrapolate (if necessary) each surface in a conceptual geometry so that all the independently defined geometric components (such as wing and fuselage) can be intersected to form a watertight CFD geometry. The software also computes the intersection curves of surface patches at any resolution (up to 10.4 accuracy) specified by the user, and it writes the B-spline surface patches, and the corresponding boundary points, for the watertight CFD geometry in the format that can be directly used by the grid generation tool VGRID. iPatch requires that input geometry be in PLOT3D format where each component surface is defined by a rectangular grid {(x(i,j), y(i,j), z(i,j)):1less than or equal to i less than or equal to m, 1 less than or equal to j less than or equal to n} that represents a smooth B-spline surface. All surfaces in the PLOT3D file conceptually represent a watertight geometry of components of an aircraft on the half-space y greater than or equal to 0. Overlapping surfaces are not allowed, but could be fixed by a utility code "fixp3d". The fixp3d utility code first finds the two grid lines on the two surface grids that are closest to each other in Hausdorff distance (a metric to measure the discrepancies of two sets); then uses one of the grid lines as the transition line, extending grid lines on one grid to the other grid to form a merged grid. Any two connecting surfaces shall have a "visually" common boundary curve, or can be described by an intersection relationship defined in a geometry specification file. The intersection of two surfaces can be at a conceptual level. However, the intersection is directional (along either i or j index direction), and each intersecting grid line (or its spine extrapolation) on the first surface should intersect the second surface. No two intersection relationships will result in a common intersection point of three surfaces. The output files of iPatch are IGES, d3m, and mapbc files that define the CFD geometry in VGRID format. The IGES file gives the NURBS definition of the outer mold line in the geometry. The d3m file defines how the outer mold line is broken into surface patches whose boundary curves are defined by points. The mapbc file specifies what the boundary condition is on each patch and the corresponding NURBS surface definition of each non-planar patch in the IGES file.

Li, Wu↗
NASA NTRS1974

Surface topographical effects on the structural growth of thick sputtered metal and alloy coatings

Thick sputtered S-Monel, silver, and 304 stainless steel coatings were deposited on mica and metal substrates with various surface finishes to investigate the structural growth of the coating by scanning electron microscopy. The geometry and the surface structure of the nodules are characterized. Compositional changes within the coating were analyzed by X-ray dispersion microscopy. Defects in the surface finish (i.e., scratches, inclusions, etc.) act as preferential nucleation sites and form isolated and complex nodules and various surface overgrowths in the coating. The nodule boundaries are very vulnerable to chemical etching and these nodules do not disappear after full annealing. Further, they have undesirable effects on mechanical properties; cracks are initiated at the nodules when the coating is stressed by mechanical forces. These effects are illustrated by micrographs. Nodular growth within a coating can be minimized or eliminated by reducing the surface roughness.

Spalvins, T.↗
NASA NTRS1974

Surface topographical effects on the structural growth of thick sputtered metal and alloy coatings

Thick sputtered S-Monel, silver, and 304 stainless steel coatings were deposited on mica and metal substrates with various surface finishes to investigate the structural growth of the coating by scanning electron microscopy. The geometry and the surface structure of the nodules are characterized. Compositional changes within the coating were analyzed by X-ray dispersion miscroscopy. Defects in the surface finish act as preferential nucleation sites and form isolated and complex nodules and various surface overgrowths in the coating. The nodule boundaries are very vulnerable to chemical etching, and these nodules do not disappear after full annealing. Further, they have undesirable effects on mechanical properties; cracks are initiated at the nodules when the coating is stressed by mechanical forces.

Spalvins, T.↗
NASA NTRS1974

Nodular growth in thick-sputtered metallic coatings

Thick-sputtered S-Monel, silver, and 304 stainless steel coatings were deposited on mica and metal substrates with various surface finishes to investigate the nodular growth in the coating by scanning electron microscopy. The geometry and the surface structure of the nodules are characterized. Compositional changes within the coating were analyzed by energy dispersive X-ray analysis. Defects in the surface finish (i.e., scratches, inclusions, etc.), act as preferential nucleation sites and form isolated and complex nodules and various surface overgrowths in the coating. The nodule boundaries are very vulnerable to chemical etching and these nodules do not disappear after full annealing. Further, they have undesirable effects on mechanical properties; cracks are initiated at the nodules when the coating is stressed by mechanical forces. These effects are illustrated by micrographs. Nodular growth within a coating can be minimized or eliminated by increasing the surface smoothness.

Spalvins, T.↗
NASA NTRS1975

Scanning electron microscope investigation of the structural growth in thick sputtered coatings

Sputtered S-Monel, silver, and 304 stainless steel coatings and molybdenum disulfide coatings were deposited on mica and metal substrates with various surface finishes to investigate the structural growth of the coating by scanning electron microscopy. The geometry and the surface morphology of the nodules are characterized. Compositional changes within the coating were analyzed by energy dispersive X-ray analysis. Defects in the surface finish act as preferential nucleation sites and form isolated overlapping and complex nodules and various unusual surface overgrowths on the coating. The nodule boundaries are very vulnerable to chemical etching and these nodules do not disappear after full annealing. Further, they have undesirable effects on mechanical properties; cracks are initiated at the nodules when the coating is stressed by mechanical forces.

Spalvins, T.↗
NASA NTRS2017

A Dose of Reality: Radiation Analysis for Realistic Human Spacecraft

INTRODUCTION As with most computational analyses, a tradeoff exists between problem complexity, resource availability and response accuracy when modeling radiation transport from the source to a detector. The largest amount of analyst time for setting up an analysis is often spent ensuring that any simplifications made have minimal impact on the results. The vehicle shield geometry of interest is typically simplified from the original CAD design in order to reduce computation time, but this simplification requires the analyst to "re-draw" the geometry with a limited set of volumes in order to accommodate a specific radiation transport software package. The resulting low-fidelity geometry model cannot be shared with or compared to other radiation transport software packages, and the process can be error prone with increased model complexity. The work presented here demonstrates the use of the DAGMC (Direct Accelerated Geometry for Monte Carlo) Toolkit from the University of Wisconsin, to model the impacts of several space radiation sources on a CAD drawing of the US Lab module. METHODS The DAGMC toolkit workflow begins with the export of an existing CAD geometry from the native CAD to the ACIS format. The ACIS format file is then cleaned using SpaceClaim to remove small holes and component overlaps. Metadata is then assigned to the cleaned geometry file using CUBIT/Trelis from csimsoft (Registered Trademark). The DAGMC plugin script removes duplicate shared surfaces, facets the geometry to a specified tolerance, and ensures that the faceted geometry is water tight. This step also writes the material and scoring information to a standard input file format that the analyst can alter as desired prior to running the radiation transport program. The scoring results can be transformed, via python script, into a 3D format that is viewable in a standard graphics program. RESULTS The CAD model of the US Lab module of the International Space Station, inclusive of all the racks and components, was simplified to remove holes and volume overlaps. Problematic features within the drawing were also removed or repaired to prevent runtime issues. The cleaned drawing was then run through the DAGMC workflow to prepare for analysis. Pilot tests modeling transport of 1GeV proton and 800MeV/A oxygen sources show that reasonable results are converged upon in an acceptable amount of overall computation time from drawing preparation to data analysis. The FLUKA radiation transport code will next be used to model both a GCR and a trapped radiation source. These results will then be compared with measurements that have been made by the radiation instrumentation deployed inside the US Lab module. DISCUSSION Early analyses have indicated that the DAGMC workflow is a promising toolkit for running vehicle geometries of interest to NASA through multiple radiation transport codes. In addition, recent work has shown that a realistic human phantom, provided via a subcontract with the University of Florida, can be placed inside any vehicle geometry for a combinatorial analysis. This added functionality gives the user the ability to score various parameters at the organ level, and the results can then be used as input for cancer risk models.

Barzilla, J. E.↗