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At least 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

First-Principles Study of n -Butane Monomolecular Cracking and Dehydrogenation on Two-Dimensional-Zeolite Model Systems: Reaction Mechanisms and Effects of Spatial Confinement

Two-dimensional (2D) ultrathin (~0.5 nm) aluminosilicate bilayer films, consisting of hexagonal prisms (a.k.a. double 6-membered rings D6R) with acidic bridging hydroxyl groups exposed on the surface, have been previously synthesized on a Ru(0001) surface as a zeolite model system. These structures are helpful for mimicking zeolite catalysts with D6R building blocks, such as chabazite. We performed density functional theory calculations to investigate the monomolecular cracking and dehydrogenation of n-butane molecules over the acidic hydroxyl groups of the 2D model system and compared the reaction energetics with that in bulk chabazite. The intrinsic activation energy barrier is the highest for dehydrogenation and lowest for central C–C bond cracking in bulk chabazite. The trend of intrinsic energy barriers for dehydrogenation and terminal and central C–C bond cracking is reproduced on the 2D aluminosilicate film. Overall, the activation barriers are higher on the 2D film than in bulk chabazite due to the lack of confinement in the former. We further explored the effects of the zeolite channel size on the n-butane adsorption and monomolecular cracking using different bulk nanoporous zeolite frameworks (TON, MEL, MEI, and VFI). We found that as the confinement of channels decreases, n-butane adsorption becomes weaker, and the intrinsic energy barrier of terminal C–C cracking increases. The activation energy barriers (dehydrogenation and terminal and central C–C cracking) on the 2D bilayer film surface, which may be considered as zeolite cages at the infinite cage size limit, are close to that in VFI with a relatively large channel size. Comparing the reaction pathway of n-butane terminal C–C cracking in 3D nanocages and on the surface of the 2D aluminosilicate film revealed that stabilizing the transition states in the 3D nanocages is responsible for the decrease in the intrinsic energy barriers for bulk zeolites.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Cracking associated with micrometeoroid impact craters in anodized aluminum alloy clamps on LDEF

The Long Duration Exposure Facility (LDEF) is a reusable hollow-cylindrical satellite sustaining a total of 57 different experiments. The 130 sq m of spacecraft surface area included anodized 6061-T6 Al alloy bay frames and clamps for holding experiment trays in the bay areas. Attention is presently given to the micrometeoroid impact crater features observed on two tray clamps recovered from the LDEF leading-edge locations. It is found that even very subtle surface modifications in structural alloy anodizing can influence micrometeoroid impact crater cracking, notable radial cracking due to the ejecta-rim of the impact craters.

Murr, Lawrence E.↗
DOE OSTI2022

Synergistic effect of microstructure and defects on the initiation of fatigue cracks in additively manufactured Inconel 718

Fatigue cracks in additively manufactured (AMed) Inconel 718 (IN-718) in machined surface condition often initiate from persistent slip bands (PSBs) unlike other popular AM alloys such as 17-4 PH stainless steel or Ti-6Al-4V, where fatigue crack initiation is exclusively from volumetric defects; therefore, a competition between PSB- vs. defect- mediated crack initiation clearly exists. To shed light on the factors governing the competition, this study investigates the characteristics of cyclic strain localization, PSB formation, and crack initiation via crystal plasticity (CP) modeling of cyclic loading on polycrystalline aggregates which are then validated by experiments. In this work, a physics-based, free slip distance (FSD) dependent slip strength evolution law is proposed, which is shown to enable the CP model to simulate the heterogeneous strain distribution in IN-718. Implementing a crack initiation criterion based on strain contrast, the locations and lives for crack initiation can also be calculated. It is shown that both FSD and resolve shear stress influence the strain localization and crack initiation behaviors. The distribution of a localization parameter calculated based on the multiplication of FSD and Schmid factor within a grain is found to correlate well with the locations of PSBs. The maximum values of the localization parameters within a microstructure are shown to correlate well with the experimentally obtained crack initiation lives. The presence of volumetric defects in IN-718 generally do not impact strain localization behavior unless their size is large compared to the grain size.

42 ENGINEERING↗
NASA NTRS1981

Sputtered protective coatings for die casting dies

Three experimental research designs investigating candidate materials and processes involved in protective die surface coating procedures by sputter deposition, using ion beam technologies, are discussed. Various pre-test results show that none of the coatings remained completely intact for 15,000 test cycles. The longest lifetime was observed for coatings such as tungsten, platinum, and molybdenum which reduced thermal fatigue, but exhibited oxidation and suppressed crack initiation only as long as the coating did not fracture. Final test results confirmed earlier findings and coatings with Pt and W proved to be the candidate materials to be used on a die surface to increase die life. In the W-coated specimens, which remained intact on the surface after thermal fatigue testing, no oxidation was found under the coating, although a few cracks formed on the surface where the coating broke down. Further research is planned.

Mirtich, M. J.↗
DOE OSTI2022

Corrosion of Containment Alloys in Molten Salt Reactors and the Prospect of Online Monitoring

The aim of this review is to communicate some essential knowledge of the underlying mechanism of the corrosion of structural containment alloys during molten salt reactor operation in the context of prospective online monitoring in future MSR installations. The formation of metal halide species and the progression of their concentration in the molten salt do reflect containment corrosion, tracing the depletion of alloying metals at the alloy salt interface will assure safe conditions during reactor operation. Even though the progress of alloying metal halides concentrations in the molten salt do strongly understate actual corrosion rates, their prospective 1 st order kinetics followed by near-linearly increase is attributed to homogeneous matrix corrosion. The service life of the structural containment alloy is derived from homogeneous matrix corrosion and near-surface void formation but less so from intergranular cracking (IGC) and pitting corrosion. Online monitoring of corrosion species is of particular interest for molten chloride systems since besides the expected formation of chromium chloride species CrCl 2 and CrCl 3 , other metal chloride species such as FeCl 2 , FeCl 3 , MoCl 2 , MnCl 2 and NiCl 2 will form, depending on the selected structural alloy. The metal chloride concentrations should follow, after an incubation period of about 10,000 hours, a linear projection with a positive slope and a steady increase of <1 ppm per day. During the incubation period metal concentration show 1 st order kinetics and increasing linearly with time. Ideally, a linear increase reflects homogeneous matrix corrosion, while a sharp increase in the metal chloride concentration could set a warning flag for potential material failure within the projected service life, e.g. as result of intergranular cracking or pitting corrosion. Continuous monitoring of metal chloride concentrations can therefore provide direct information about the mechanism of the ongoing corrosion scenario and offer valuable information for a timely warning of prospective material failure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1975

Thermal fatigue and oxidation data on TAZ-8A, MAR-M 200, and Udimet 700 superalloys

The fluidized bed technique was used to determine the relative thermal fatigue and oxidation resistance of three superalloys: TAZ-8A, Mar-M 200, and Udimet 700. The alloys TAZ-8A and MAR-M 200 were also tested in the directionally-solidified form. For the 13 combinations of composition, solidification method, surface protection, and specimen geometry, the cycles to cracking varied from 1250 to 15,000. The alloy/coating having the best resistance to thermal fatigue cracking was coated directionally-solidified NASA TAZ-8A. This combination also had excellent oxidation resistance.

Howes, M. A. H.↗
NASA NTRS1980

JANTX1N5614 switching siode

Diode manufactured by Micro Semiconductor and Semtech were tested. Main failure mode was surface inversions caused by leakage of contaminants through cracks in glass. Most failures in groups 2 and 3 were visual.

Source record↗
NASA NTRS1980

Effects of temperature, thermal exposure, and fatigue on an alumina/aluminum composite

An experimental investigation of the mechanical properties and microstructure of an aluminum matrix/polycrystalline alumina fiber composite material is discussed. The effects of fabrication, isothermal exposure (up to 10,000 hours at 590 K), thermal cycling (6000 cycles between 200 K and 590 K), fatigue (1,000,000 tension-tension cycles) were determined by mechanical testing and metallurgical analysis. The fabrication process severely degraded the fiber strength by reducing the alumina to a nonstoichiometric form and quenching in the resultant vacancies and stress fields. However, isothermal exposure, thermal cycling, and fatigue cycling all restored the fiber strength by enhancing vacancy annihilation. Comparison of the as-fabricated material with other aerospace materials shows that it is an attractive candidate for select applications. Long duration isothermal exposure weakened the matrix by overaging and through the diffusional loss of lithium to a surface reaction forming lithium carbonate. Thermal cycling initiated cracks in the matrix and fibers. Tension-tension fatigue cycling caused no apparent damage to the as-fabricated material but in fact, strengthened it to the rule-of-mixtures value. Fatigue cycling after thermal exposure did have a cumulative damage effect.

Olsen, G. C.↗
NASA NTRS1985

Role of Hydrogen and Structure on CMSX-2

The goal was to characterize and understand the detailed effect of hydrogen on the tensile and fatigue behavior of single crystals of CMSX-2. Specimens were solutionized, air cooled, and then aged in one of two ways. The resultant macro and microstructure included a pronounced dendritic structure with numerous low angle boundaries in the interdendritic region and on the average a high level of porosity with a large variation in size and distribution. Hydrogen permeability and diffusivity in this material was found to be very low at room temperature. Hydrogen concentration studies on thin samples yielded values significantly higher than found for similar charging conditions in nickel and stainless steels. The tensile mechanical properties were found to depend on hydrogen concentration. SEM observations of the brittle subsurface zone revealed a strong correlation between crack initiation sites and voids just beneath the surface. The hollow and solid samples were compared to better understand the influence of increased charged volume on the fatigue behavior.

Baker, C. L.↗
NASA NTRS1983

Nonlinear damage analysis: Postulate and evaluation

The objective of this program is to assess the viability of a damage postulate which asserts that the fatigue resistance curve of a metal is history dependent due to inelastic action. The study focusses on OFE copper because this simple model material accentuates the inelastic action central to the damage postulate. Data relevant to damage evolution and crack initiation are developed via a study of surface topography. The effects of surface layer residual stresses are explored via comparative testing as were the effects in initial prestraining. The results of the study very clearly show the deformation history dependence of the fatigue resistance of OFE copper. Furthermore the concept of deformation history dependence is shown to qualitatively explain the fatigue resistance of all histories considered. Likewise quantitative predictions for block cycle histories are found to accurately track the observed results. In this respect the assertion that damage per cycle for a given level of the damage parameter is deformation history dependent appears to be physically justified.

Leis, B. N.↗
NASA NTRS2003

Protein crystals and their growth

Recent results on the associations between protein molecules in crystal lattices, crystal-solution surface energy, elastic properties, strength, and spontaneous crystal cracking are reviewed and discussed. In addition, some basic approaches to understanding the solubility of proteins are followed by an overview of crystal nucleation and growth. It is argued that variability of mixing in batch crystallization may be a source of the variation in the number of crystals ultimately appearing in the sample. The frequency at which new molecules join a crystal lattice is measured by the kinetic coefficient and is related to the observed crystal growth rate. Numerical criteria used to discriminate diffusion- and kinetic-limited growth are discussed on this basis. Finally, the creation of defects is discussed with an emphasis on the role of impurities and convection on macromolecular crystal perfection.

Review↗
NASA NTRS2008

Active Metal Brazing and Characterization of Brazed Joints in C-C and C-SiC Composites to Copper-Clad-Molybdenum System

Carbon/carbon composites with CVI and resin-derived matrices, and C/SiC composites reinforced with T-300 carbon fibers in a CVI SiC matrix were joined to Cu-clad Mo using two Ag-Cu braze alloys, Cusil-ABA (1.75% Ti) and Ticusil (4.5% Ti). The brazed joints revealed good interfacial bonding, preferential precipitation of Ti at the composite/braze interface, and a tendency toward delamination in resin-derived C/C composite. Extensive braze penetration of the inter-fiber channels in the CVI C/C composites was observed. The Knoop microhardness (HK) distribution across the C/C joints indicated sharp gradients at the interface, and a higher hardness in Ticusil than in Cusil-ABA. For the C/SiC composite to Cu-clad-Mo joints, the effect of composite surface preparation revealed that ground samples did not crack whereas unground samples cracked. Calculated strain energy in brazed joints in both systems is comparable to the strain energy in a number of other ceramic/metal systems. Theoretical predictions of the effective thermal resistance suggest that such joined systems may be promising for thermal management applications.

Singh, M.↗
DOE OSTI2022

Sirius Irradiation Experiments and Post-Irradiation Examinations for Nuclear Thermal Propulsion

Nuclear Thermal Propulsion (NTP) systems hold promise in reducing transit times for exploration of the solar system by both crewed and uncrewed missions. NTP systems currently under investigation include a once-through high temperature gas-cooled fission reactor to provide thermal energy to heat the coolant which also serves as the propellant. The fuel systems of angular UN fuel particles dispersed in a matrix of W/Re, creating a ceramic and metallic composite or cermet, has been irradiated in Idaho National Laboratory’s (INL) Transient Reactor Test Facility (TREAT) enabling evaluation of these materials under representative nuclear heating rates (~95 K/s) and peak temperatures (~2527 K). These tests named Sirius-1 (UN-W/Re), have been irradiated and this paper will present post-irradiation examination results. The Sirius-1 test produced cracks in the fuel specimen and spalling of surface material. Uranium soot was found on the inner wall of the irradiation capsule indicating loss of some fissile material from the fuel specimen. Spalling from the surfaces was also noted upon visual inspection. Uranium diffusion from the fuel particles resulted in the formation of U/Re phases and edge features producing a laminar microstructure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1978

Analysis and Test of Deep Flaws in Thin Sheets of Aluminum and Titanium. Volume 2: Crack Opening Displacement and Stress-Strain Data

Static fracture tests were performed on surface flawed specimens of aluminum and titanium alloys. A simulated proof overload cycle was applied prior to all of the cyclic tests. Variables included in each test series were flaw shapes and thickness. Additionally, test temperature was a variable for the aluminum test series. The crack opening displacement and stress-strain data obtained are presented.

Finger, R. W.↗
NASA NTRS1983

Surface characterization of Ti and Ti (6 percent, Al-4 percent, V) metal powders and interaction with primer solutions

The interaction of Ti and Ti 6-4 powders with water and primer solutions was investigated experimentally by measuring the heats of immersion. Similar comparative studies were made on anatase and rutile TiO2 powders. The surface oxide layers of Ti and Ti 6-4 cracked on heating in vacuum between 300 and 400 C as evidenced by high heats of immersion in both water and primer solutions. Polyimide and polyphenylquinoxaline interacted preferentially, compared with the solvents with both metal powders after outgassing at room temperature. The heats of immersion of Ti 6-4 in water, solvents, and primer solutions increased significantly after pretreatment of the powder by an alkaline etch and a phosphate-fluoride process. The TiO2 powders were not satisfactory models for the surface oxide layer on either Ti or Ti 6-4 powder.

Siriwardane, R. V.↗
NASA NTRS2008

Probability of Detection Demonstration Transferability

The ongoing Mars Science Laboratory (MSL) Propellant Tank Penetrant Nondestructive Evaluation (NDE) Probability of Detection (POD) Assessment (NESC activity) has surfaced several issues associated with liquid penetrant POD demonstration testing. This presentation lists factors that may influence the transferability of POD demonstration tests. Initial testing will address the liquid penetrant inspection technique. Some of the factors to be considered in this task are crack aspect ratio, the extent of the crack opening, the material and the distance between the inspection surface and the inspector's eye.

Parker, Bradford H.↗
NASA NTRS1985

Effects of strain rate on delamination fracture toughness of graphite/epoxy

The objective of this paper is to evaluate various experimental techniques and analysis methods for the characterization of interlaminar fracture toughness, and to determine the effects of strain rate on that property for a graphite/epoxy composite. Mode I interlaminar fracture was investigated by means of a double-cantilever beam (DCB) specimen for AS-4/3501-6 graphite/epoxy. Hinged tabs were used to insure unrestrained rotation at the free ends. Specimens were loaded at quasi-static deflection rates of up to 8.5 mm/s corresponding to crack extension rates of over 51 mm/s. Crack extension was monitored by means of strain gages mounted on the surface of the specimen, or a conductive-paint circuit attached to the edge of the DCB specimen. Continuous records were obtained of load, deflection, and crack extension for determination of the strain energy release rate. The latter was expressed as a power law of the crack extension velocity. Results indicate that the strain energy release rate increases with crack velocity by up to 28 percent for the range of rates considered.

Daniel, I. M.↗