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All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Molecular modeling of polymer composite-analyte interactions in electronic nose sensors

We report a molecular modeling study to investigate the polymer-carbon black (CB) composite-analyte interactions in resistive sensors. These sensors comprise the JPL electronic nose (ENose) sensing array developed for monitoring breathing air in human habitats. The polymer in the composite is modeled based on its stereoisomerism and sequence isomerism, while the CB is modeled as uncharged naphthalene rings with no hydrogens. The Dreiding 2.21 force field is used for the polymer, solvent molecules and graphite parameters are assigned to the carbon black atoms. A combination of molecular mechanics (MM) and molecular dynamics (NPT-MD and NVT-MD) techniques are used to obtain the equilibrium composite structure by inserting naphthalene rings in the polymer matrix. Polymers considered for this work include poly(4-vinylphenol), polyethylene oxide, and ethyl cellulose. Analytes studied are representative of both inorganic and organic compounds. The results are analyzed for the composite microstructure by calculating the radial distribution profiles as well as for the sensor response by predicting the interaction energies of the analytes with the composites. c2003 Elsevier Science B.V. All rights reserved.

NASA Center JPL↗
NASA NTRS2023

Investigating the Role of Incident Ion Flux in Solar Wind Space Weathering of Carbon-Rich Asteroidal Regolith Via H+ and He+ Irradiation of the Murchison Meteorite

We present results from a set of low and high flux 1 keV/amu H + and He + irradiation experiments performed on slabs of the Murchison CM2 carbonaceous chondrite. The low flux conditions for H + and He + irradiation were ~1-1.5 orders of magnitude lower than the high flux conditions, and each experiment was irradiated to a total fluence between ~3 × 10 16 to ~6 × 10 16 ions/cm 2 . Irradiation-induced changes in the surface chemistry and optical properties of the Murchison samples were evaluated using in situ X-ray photoelectron spectroscopy (XPS) and visible and near-infrared spectroscopy (VNIR). We characterized the microstructure and composition of ion damaged rims in focused ion beam (FIB) cross-sections extracted from olivine and matrix material in each irradiated Murchison slab using transmission electron microscopy (TEM). XPS results suggest that both low flux and high flux H + and He + irradiation cause minor sputtering of surface carbon as well as a reduction in the valence state of iron, from Fe 3+ to Fe 2+ . Slope bluing is observed in VNIR spectra of the irradiated samples which may reflect carbonization and dehydrogenation of organic species and contrasts with reddening trends associated with npFe 0 formation. Although we do not observe a strong flux-dependence on the crystallinity of ion-damaged olivine, TEM analyses reveal a variety of microstructures in all olivine FIB-sections, suggesting that crystallographic orientation affects amorphization efficiency. Analyses of matrix FIB-sections indicate that phyllosilicate alteration is mainly driven by He+ irradiation, where the higher incident flux leads to greater amorphization and the formation of more distinct ion-damaged layers, similar to smooth layers in returned Ryugu particles. TEM results also provide some evidence that higher ion flux leads to greater vesiculation, with He + irradiation being more efficient at vesiculation than H + irradiation, and that higher ion flux may promote the segregation of Mg and Si into laterally extensive lenses and layers in olivine samples. We discuss the implications of these findings for constraining the role that ion flux plays in the development of space weathering characteristics in silicate phases present in carbonaceous asteroidal regoliths. These results will be important for understanding the complexity of this process and how it operates on carbon-rich airless bodies like asteroids Bennu and Ryugu.

meteorites↗
NASA NTRS1976

Experimental development of processes to produce homogenized alloys of immiscible metals, phase 3

An experimental drop tower package was designed and built for use in a drop tower. This effort consisted of a thermal analysis, container/heater fabrication, and assembly of an expulsion device for rapid quenching of heated specimens during low gravity conditions. Six gallium bismuth specimens with compositions in the immiscibility region (50 a/o of each element) were processed in the experimental package: four during low gravity conditions and two under a one gravity environment. One of the one gravity processed specimens did not have telemetry data and was subsequently deleted for analysis since the processing conditions were not known. Metallurgical, Hall effect, resistivity, and superconductivity examinations were performed on the five specimens. Examination of the specimens showed that the gallium was dispersed in the bismuth. The low gravity processed specimens showed a relatively uniform distribution of gallium, with particle sizes of 1 micrometer or less, in contrast to the one gravity control specimen. Comparison of the cooling rates of the dropped specimens versus microstructure indicated that low cooling rates are more desirable.

Reger, J. L.↗
NASA NTRS1979

Recent developments in liquid-metal embrittlement

The paper reviews developments in liquid-metal embrittlement of the past 7 years including data on cyclic loading. Embrittlement by solid and liquid metals and by hydrogen has many common features, although the mechanism of embrittler transport differs. Fracture may occur in each type of embrittlement by environmentally assisted shear and by reduced cohesion; embrittlement under cyclic loading has been widely observed, with stress level, temperature, and substrate alloy composition and grain size being the major variables. The degree of embrittlement between any combination of environment (i.e. hydrogen, liquid metal, or solid metal) and substrate depends upon the strength of the interaction with the substrate, the kinetics of embrittler transport, the mutual solubility of embrittler and substrate, and a large number of test and microstructural conditions. A method of calculating the most significant of these variables and the strength of interaction was reviewed and predictions of embrittlement in previously untested couples were made.

Stoloff, N. S.↗
NASA NTRS2003

Arc Jet Testing of Hafnium Diboride Based Ultra High Temperature Ceramics

Hafnium Diboride (HFB,) based materials have shown promise for use in a number of high temperature aerospace applications, including rocket nozzles and as leading edges on hypersonic reentry vehicles. The stability of the materials in relevant environments is key to determining their suitability for a particular application. In this program we have been developing HfB2/SiC materials for use as sharp leading edges. The program as a whole included processing and characterization of the HfBJSiC materials. The specific work discussed here will focus on studies of the materials oxidation behavior in simulated reentry environments through arc jet testing. Four flat face models were tested to examine the influence of heat flux and stagnation pressure on the materials oxidation behavior. The results from arc jet testing of two HfB2/SiC cone models will also be discussed. Each cone model was run multiple times with gradually increasing heat fluxes. Total run times on a single cone model exceeded 80 minutes. For both the flat face and cone models surface temperatures well in excess of 2200 C were measured. Post test microstructural examination of the models and correlations with measured temperatures will be discussed.

Ellerby, Don↗
NASA NTRS2015

Calcium-magnesium Aluminosilicate (CMAS) Interactions with Advanced Environmental Barrier Coating Material

Particulates, like sand and volcanic ash, threaten the development of robust environmental barrier coatings (EBCs) that protect next-generation silicon-based ceramic matrix composite (CMC) turbine engine components from harsh combustion environments during service. The siliceous particulates transform into molten glassy deposits of calcium-magnesium aluminosilicate (CMAS) when ingested by an aircraft engine operating at temperatures above 1200C. In this study, a sample of desert sand was melted into CMAS glass to evaluate high-temperature interactions between the sand glass and an advanced EBC material. Desert sand glass was added to the surface of hot-pressed EBC substrates, which were then heated in air at temperatures ranging from 1200C to 1500C. Scanning electron microscopy and X-ray energy-dispersive spectroscopy were used to evaluate microstructure and phase compositions of specimens and the CMASEBC interface after heat treatments.

CMAS-coating interactions↗
NASA NTRS2001

Disk Alloy Development

The advanced powder metallurgy disk alloy ME3 was designed using statistical screening and optimization of composition and processing variables in the NASA HSR/EPM disk program to have extended durability at 1150 to 1250 "Fin large disks. Scaled-up disks of this alloy were produced at the conclusion of this program to demonstrate these properties in realistic disk shapes. The objective of the UEET disk program was to assess the mechanical properties of these ME3 disks as functions of temperature, in order to estimate the maximum temperature capabilities of this advanced alloy. Scaled-up disks processed in the HSR/EPM Compressor / Turbine Disk program were sectioned, machined into specimens, and tested in tensile, creep, fatigue, and fatigue crack growth tests by NASA Glenn Research Center, in cooperation with General Electric Engine Company and Pratt & Whitney Aircraft Engines. Additional sub-scale disks and blanks were processed and tested to explore the effects of several processing variations on mechanical properties. Scaled-up disks of an advanced regional disk alloy, Alloy 10, were used to evaluate dual microstructure heat treatments. This allowed demonstration of an improved balance of properties in disks with higher strength and fatigue resistance in the bores and higher creep and dwell fatigue crack growth resistance in the rims. Results indicate the baseline ME3 alloy and process has 1300 to 1350 O F temperature capabilities, dependent on detailed disk and engine design property requirements. Chemistry and process enhancements show promise for further increasing temperature capabilities.

Gabb, Tim↗
NASA NTRS2002

Molecular modeling of polymer composite interactions with analytes in electronic nose sensors for environmental monitoring in International Space Station

We report a molecular modeling study to investigate the polymer-carbon black (CB) composite-analyte interactions in resistive sensors. These sensors comprise the JPL Electronic Nose (ENose) sensing array developed for monitoring breathing air in human habitats. The polymer in the composite is modeled based on its stereisomerism and sequence isomerism, while the CB is modeled as uncharged naphthalene rings (with no hydrogens). The Dreiding 2.21 force field is used for the polymer and solvent molecules and graphite parameters are assigned to the carbon black atoms. A combination of molecular mechanics (MM) and molecular dynamics (NPT-MD and NVT-MD) techniques are used to obtain the equilibrium composite structure by inserting naphthalene rings in the polymer matrix. Polymers considered for this work include poly(4- vinylphenol), polyethylene oxide, and ethyl cellulose. Analytes studied are representative of both inorganic (ammonia) and organic (methanol, toluene, hydrazine) compounds. The results are analyzed for the composite microstructure by calculating the radial distribution profiles as well as for the sensor response by predicting the interaction energies of the analytes with the composites.

electronic noise environmental monitoring polymer ↗
NASA NTRS2002

Development Of A Novel Discontinuously-Reinforced Aluminum For Space Applications

Discontinuously-reinforced aluminum (DRA) has been used in aerospace structures such as Ventral Fins and Fan Exit Guide Vanes owing to its superior specific stiffness, specific strength, wear resistance, and thermal resistance as compared to the unreinforced aluminum alloys. In order to reduce engine weight, DRA materials are now being considered for space applications. Higher specific strength at ambient and cryogenic temperatures is one of the main requirements in certain rocket applications. The commercial DRA materials use 6xxx and 2xxx precipitation hardened aluminum alloys as matrices which have limited strengths. Therefore, an aluminum alloy which can provide significantly higher ambient and cryogenic strengths is required. In this paper, a novel aluminum alloy based on Al-Sc-X composition with improved ambient and cryogenic temperature strengthening capability is proposed. In addition, this alloy showed promise for improved strength at elevated temperature. The monolithic alloy and the composite with 15 volume percent SiC and B4C particles were processed using a powder metallurgy approach. The influence of processing parameters on the microstructures and mechanical properties of the monolithic and composite materials is discussed. The alloy showed very high strength and moderate ductility. The influence of hydrogen on the properties of monolithic and composite materials is discussed. The thermal stability of these materials is also evaluated. The strength of the material is discussed in terms of solid solution strengthening, Orowan strengthening, and antiphase boundary strengthening models.

Pandey, A. B.↗
NASA NTRS1992

Materials science research in microgravity

There are several important attributes of an extended duration microgravity environment that offer a new dimension in the control of the microstructure, processing, and properties of materials. First, when gravitational effects are minimized, buoyancy driven convection flows are also minimized. The flows due to density differences, brought about either by composition or temperature gradients will then be reduced or eliminated to permit a more precise control of the temperature and the composition of a melt which is critical in achieving high quality crystal growth of electronic materials or alloy structures. Secondly, body force effects such as sedimentation, hydrostatic pressure, and deformation are similarly reduced. These effects may interfere with attempts to produce uniformly dispersed or aligned second phases during melt solidification. Thirdly, operating in a microgravity environment will facilitate the containerless processing of melts to eliminate the limitations of containment for reactive melts. The noncontacting forces such as those developed from electromagnet, electrostatic, or acoustic fields can be used to position samples. With this mode of operation, contamination can be minimized to enable the study of reactive melts and to eliminate extraneous crystal nucleation so that novel crystalline structures and new glass compositions may be produced. In order to take advantage of the microgravity environment for materials research, it has become clear that reliable processing models based on a sound ground based experimental experience and an established thermophysical property data base are essential.

Perepezko, John H.↗
NASA NTRS2018

Levitation Experiments on ISS: Science and Applications

Levitation experiments on the International Space Station (ISS) are ongoing. The European Space Agency (ESA) Materials Science Laboratory Electromagnetic Levitator (MSL-EML) has been in operation since 2015. US investigators are on several of the European Topical Teams and have been heavily involved with the experiments since 2009. The experiments include magneto-hydrodynamic (MHD) modeling of macro-convection, the effects of convection on microstructure, investigation of metallic glass formation, and much more. Recently NASA selected four proposals to the MaterialsLab NASA Research Announcement (NRA) for experiments on the Japan Aerospace eXploration Agency (JAXA) Electrostatic Levitation Furnace (ELF), which was launched to the ISS in 2015. It is estimated that the four US investigators will have flight experiments on ELF within the next few years. The experiments range from a novel method to measure interfacial tension to investigations of thermophysical properties of metals, metal oxides, and non-linear optical materials. Using the MSL-EML and ELF, US investigators are studying a wide range of NASA exploration-relevant materials. Levitation experiments enable exploration in many ways. For example, high quality thermophysical properties of high-temperature materials are critical to develop accurate models of casting, welding, and metal additive manufacturing, which could lead to more efficient and more reliable production of metallic parts for exploration, commercial, and industrial applications. High-quality thermophysical properties could also lead to the development of functional oxide glass and optical materials. In many cases, the accuracy of available property data is the limiting factor in the predictive capabilities of the models. Many thermophysical properties can be measured in a levitator on Earth, but with convective contamination. This contamination plays a significant role in the formation of the intermediate phases. In particular, nucleation and viscosity measurements demand quiescent conditions that can only be attained in microgravity-based levitation systems. A brief overview of the ongoing and planned levitation experiments on the ISS will be presented, followed by the exploration-relevance.

SanSoucie, Michael P.↗
NASA NTRS2002

The Effects of Substrate Material and Thermal Processing Atmosphere on the Strength of PS304: A High Temperature Solid Lubricant Coating

PS304, a plasma spray deposited solid lubricant coating developed for high temperature sliding contacts was deposited on nine different substrate metals, heat treated at 650C in either air or argon and subsequently tested for strength using a commercially available pull-off adhesion test. Some samples were examined metallographically to help elucidate and explain the results. As deposited coatings exhibit pull-off strengths typically between 16 and 20 MPa with failure occuring (cohesively) within the coating. Heat treatment in argon at 650 C results in a slight increase in coating (cohesive) strength of about 30 percent to 21 to 27 MPa. Heat treatment in air at 650 C results in a dramatic increase in strength to over 30 MPa, exceeding the strength of the epoxy used in the pull test. Cross section metallographic analyses show that no microstructural coating changes occur following the argon heat treatments, however, exposure to air at 650C gives rise to the formation of a second chromium-rich phase precipitate within the PS304 NiCr constituent which provides a strengthening effect and a slight (approximately 5 percent) coating thickness increase. Subsequent heat treatments do not result in any further coating changes. Based upon these studies, PS304 is a suitable coating for use on a wide variety of high temperature substrates and must be heat treated following deposition to enhance strength and ensure dimensional stability.

DellaCorte, Christopher↗
NASA NTRS1989

Nonlinear mesomechanics of composites with periodic microstructure

This work is concerned with modeling the mechanical deformation or constitutive behavior of composites comprised of a periodic microstructure under small displacement conditions at elevated temperature. A mesomechanics approach is adopted which relates the microimechanical behavior of the heterogeneous composite with its in-service macroscopic behavior. Two different methods, one based on a Fourier series approach and the other on a Green's function approach, are used in modeling the micromechanical behavior of the composite material. Although the constitutive formulations are based on a micromechanical approach, it should be stressed that the resulting equations are volume averaged to produce overall effective constitutive relations which relate the bulk, volume averaged, stress increment to the bulk, volume averaged, strain increment. As such, they are macromodels which can be used directly in nonlinear finite element programs such as MARC, ANSYS and ABAQUS or in boundary element programs such as BEST3D. In developing the volume averaged or efective macromodels from the micromechanical models, both approaches will require the evaluation of volume integrals containing the spatially varying strain distributions throughout the composite material. By assuming that the strain distributions are spatially constant within each constituent phase-or within a given subvolume within each constituent phase-of the composite material, the volume integrals can be obtained in closed form. This simplified micromodel can then be volume averaged to obtain an effective macromodel suitable for use in the MARC, ANSYS and ABAQUS nonlinear finite element programs via user constitutive subroutines such as HYPELA and CMUSER. This effective macromodel can be used in a nonlinear finite element structural analysis to obtain the strain-temperature history at those points in the structure where thermomechanical cracking and damage are expected to occur, the so called damage critical points of the structure.

Walker, Kevin P.↗
NASA NTRS2020

Toward an In-Depth Material Model for Cermet Nuclear Thermal Rocket Fuel Elements

The development and qualification of nuclear thermal propulsion (NTP) fuel element technologies would be aided by an in-depth model of material response and failure modes at operating conditions. Integrated computational materials engineering techniques have the potential to provide such a model, as demonstrated here through three case studies focused on a tungsten-uranium mononitride cermet fuel. The first case focuses on the erosion of tungsten (W, also named wolfram), a nominal coating/cladding material, in hot hydrogen. Ab initio techniques are used to calculate erosion rates and thermal expansion at NTP operating conditions. The second focuses on the stability of uranium mononitride (UN) fuels at high temperature and in the presence of hydrogen. Phase diagram techniques reveal potential instabilities and decomposition pathways at high hydrogen concentrations. The third focuses on using microstructure information to predict high temperature mechanical response and failure of tungsten, used in refractory cermet materials. Combined finite element and discrete dislocation dynamics techniques provide mechanical properties in agreement with experimental methods. The integration of these techniques for an all-encompassing material model is discussed.

cermet↗
NASA NTRS1999

Use of Microgravity to Control the Microstructure of Eutectics

This grant began in June of 1996. Its long term goal is to be able to control the microstructure of directionally solidified eutectic alloys, through an improved understanding of the influence of convection. The primary objective of the projects in the present grant is to test hypotheses for the reported influence of microgravity on the microstructure of eutectics. The prior experimental results on the influence of microgravity on the microstructure of eutectics have been contradictory. With lamellar eutectics, microgravity had a negligible effect on the microstructure. Microgravity experiments with fibrous eutectics sometimes showed a finer microstructure and sometimes a coarser microstructure. Most research has been done on the MnBi/Bi rod-like eutectic. Larson and Pirich obtained a two-fold finer microstructure both from microgravity and by use of a magnetic field to quench buoyancy-driven convection. Smith, on the other hand, observed no change in microgravity. Prior theoretical work at Clarkson University showed that buoyancy-driven convection in the vertical Bridgman configuration is not vigorous enough to alter the concentration field in front of a growing eutectic sufficiently to cause a measurable change in microstructure. We assumed that the bulk melt was at the eutectic composition and that freezing occurred at the extremum, i.e. with minimum total undercooling at the freezing interface. There have been four hypotheses attempting to explain the observed changes in microstructure of fibrous eutectics caused by convection: I .A fluctuating freezing rate, combined with unequal kinetics for fiber termination and branching. 2. Off-eutectic composition, either in the bulk melt due to an off-eutectic feed or at the freezing interface because of departure from the extremum condition. 3. Presence of a strong habit modifying impurity whose concentration at the freezing interface would be altered by convection. At the beginning of the present grant, we favored the first of these hypotheses and set out to test it both experimentally and theoretically. We planned the following approaches: I .Pass electric current pulses through the MnBi/Bi eutectic during directional solidification in order to produce an oscillatory freezing rate. 2. Directionally solidify the MnBi/Bi eutectic on Mir using the QUELD II gradient freeze furnace developed by Professor Smith at Queen's University. 3. Select another fibrous eutectic system for investigation using the Accelerated Crucible Rotation Technique to introduce convection. 4. Develop theoretical models for eutectic solidification with an oscillatory freezing rate. Because of the problems with Mir, we substituted ground-based experiments at Queen's University with QUELD II vertical and horizontal, with and without vibration of the furnace. The Al-Si system was chosen for the ACRT experiments. Three related approaches were used to model eutectic solidification with an oscillatory freezing rate. A sharp interface model was used to calculate composition oscillations at the freezing interface in response to imposed freezing rate oscillations.

Wilcox. William R.↗
NASA NTRS1987

Thermal stability of the nickel-base superalloy B-1900 + Hf with tantalum variations

The microstructure of the solutionized and aged nickel-base superalloy B-1900 + Hf was examined after additional aging at 982 C for 72, 250, and 1000 hours. Alloy compositions that were examined contained the normal 1.34 at. pct (4.3 wt pct) Ta as well as 0.67 at. pct and zero Ta levels. The gamma-prime phase agglomerated, became platelike in morphology, and decreased in volume fraction for all three alloys throughout the aging treatments. Changes which occurred in the gamma and gamma-prime phase compositions were nearly complete after 72 hours of aging while changes in the MC carbide composition continued throughout the aging. Blocky M6C carbides precipitated along the grain boundaries of all three alloys in the first 72 hours of aging. In addition, an acicular form of this Mo/Cr/Ni-rich carbide developed in the intragranular regions of the Ta-containing alloys.

Harmon, B. S.↗
NASA NTRS1994

Low Earth orbit durability evaluation of protected silicone for advanced refractive photovoltaic concentrator arrays

The need for efficient, cost effective sources of electrical power in space has led to the development of photovoltaic power systems which make use of novel refractive solar concentrators. These concentrators have been conceived in both point-focus and linear-focus designs. Current concentrator lenses are fabricated from flexible silicones with Fresnel facets along their inside surface. To insure the efficient operation of these power systems, the concentrator lenses must be durable and the silicone material must remain specularly transmitting over a reasonable lifetime in low Earth orbit (LEO) and other space environments. Because of the vulnerability of silicones to atomic oxygen and ultraviolet radiation in LEO these lenses have been coated with a multi-layer metal oxide protective coating. The objective of this research was to evaluate the LEO durability of the multilayer coated silicone for advanced refractive photovoltaic concentrator arrays with respect to optical properties and microstructure. Flat metal oxide coated silicone samples were exposed to ground-laboratory and in-space atomic oxyqen for durability evaluation.

Degroh, Kim K.↗
NASA NTRS1998

Interactions Between Solidification and Compositional Convection in Alloys

This project combined theoretical and experimental ground-based studies of the interactions between convection and solidification of binary melts. Particular attention was focused on the alteration of the composition and microstructure of castings caused by convective flows through the interstices of mushy layers. Two different mechanisms causing convection were investigated. (i) Compositional, buoyancy driven convection is known to cause chimneys and freckles in directionally cast alloys on Earth. The analytical studies provide quantitative criteria for the formation of chimneys that can be used to assess the expediency of producing alloys in Space. (ii) Flow of the melt is also driven by the contraction (expansion) that typically occurs during change of phase. Such convection will occur even in the absence of gravity, and may indeed be the primary cause of macrosegregation during the production of alloys in Space. The studies will employed asymptotic methods in order to determine conditions for the stability of various states of solidifying systems. Further, simple macroscopic models of complete systems were developed and solved. These analytical studies were augmented by laboratory experiments using aqueous solutions, in which the convective flows could be easily observed and the effects of convection could be readily measured. These y experiments guided the development of the theoretical models and provided data against which the predictions of the models can be tested.

Davis, S. H.↗