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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Radiation response of a Fe–20Cr–25Ni austenitic stainless steel under Fe 2+ irradiation at 500 °C

The radiation response of a Fe–20Cr–25Ni austenitic stainless steel under self-ion irradiation at 500 °C was systematically investigated. The steel was irradiated at 500 °C by 3.5 MeV Fe 2+ ions to 10, 50, and 150 peak dpa, respectively. In the 200–400 nm depth region, radiation-induced Frank loops were relatively stable in both size and number density from 10 to 150 peak dpa. Anisotropic distribution of Frank loops was observed in the 50 and 150 peak dpa specimens, possibly due to interaction of Frank loops and network dislocations with preferred orientations. Coarse voids were found only in the 50 and 150 peak dpa specimens in depths less than 750 nm, suggesting that injected interstitials at deeper regions suppressed the void nucleation. The peak swelling was very low (~0.4%) for both 50 and 150 peak dpa irradiation. Radiation also led to the formation of intragranular plate-like Cr-rich carbides. Radiation-induced segregation of Ni and Si was found at various sinks: dislocation loops, void surfaces, and carbide-matrix interfaces. Finally, irradiation hardening was measured by nanoindentation and the results are consistent with microstructure-based calculations using the dispersed barrier hardening model. The major contributor to irradiation hardening changed from Frank loops at the lowest dose to network dislocations at the highest dose.

dislocation loops↗
DOE OSTI2021

Mechanism of Additive-Assisted Room-Temperature Processing of Metal Halide Perovskite Thin Films

Perovskite solar cells have received substantial attention due to their potential for low-cost photovoltaic devices on flexible or rigid substrates. Thiocyanate (SCN)-containing additives, such as MASCN (MA = methylammonium), have been shown to control perovskite film crystallization and the film microstructure to achieve effective room-temperature perovskite absorber processing. Nevertheless, the crystallization pathways and mechanisms of perovskite formation involved in MASCN additive processing are far from clear. Using in situ X-ray diffraction and photoluminescence, we investigate the crystallization pathways of MAPbI 3 and reveal the mechanisms of additive-assisted perovskite formation during spin coating and subsequent N 2 drying. In this work, we confirm that MASCN induces large precursor aggregates in solution and, during spin coating, promotes the formation of the perovskite phase with lower nucleation density and overall larger initial nuclei size, which forms upon reaching supersaturation in solution, in addition to intermediate solvent-complex phases. Finally, during the subsequent N 2 drying, MASCN facilitates the dissociation of these precursor aggregates and the solvate phases, leading to further growth of the perovskite crystals. Our results show that the nature of the intermediate phases and their formation/dissociation kinetics determine the nucleation and growth of the perovskite phase, which subsequently impact the film microstructure. These findings provide mechanistic insights underlying room-temperature, additive-assisted perovskite processing and help guide further development of such facile room-temperature synthesis routes.

36 MATERIALS SCIENCE↗
DOE OSTI2020

All-atom molecular dynamics simulations of weak polyionic brushes: influence of charge density on the properties of polyelectrolyte chains, brush-supported counterions, and water molecules

All atom molecular dynamics (MD) simulations of planar Na+-counterion-neutralized polyacrylic acid (PAA) brushes are performed for varying degrees of ionization (and thereby varying charge density) and varying grafting density. Variation in the PE charge density (or degree of ionization) and grafting density leads to massive changes of the properties of the PE molecules (quantified by the changes in the height and the mobility of the PE brushes) as well as the local arrangement and distribution of the brush-supported counterions and water molecules within the brushes. The effect on the counterions is manifested by the corresponding variation of the counterion mobility, counterion concentration, extent of counterion binding to the charged site of the PE brushes, water-in-salt-like structure formation, and counterion-water–oxygen radial distribution function within the PE brushes. On the other hand, the effect on water molecules is manifested by the corresponding variation of water–oxygen–water–oxygen RDF, local water density, water–water and water–PE functional group hydrogen bond networks, static dielectric constant of water molecules, orientational tetrahedral order parameter, and water mobility. Enforcing such varying degree of ionization of weak polyelectrolytes is possible by changing the pH of the surrounding medium. Thus, our results provide insights into the changes in microstructure (at the atomistic level) of weak polyionic brushes at varying pH. Finally, we anticipate that this knowledge will prove to be vital for the efficient design of several nano-scale systems employing PE brushes such as nanomechanical gates, current rectifiers, etc.

42 ENGINEERING↗
DOE OSTI2023

An Implicit Approach to Phase Field Modeling of Solidification for Additively Manufactured Alloys [Slides]

We are leveraging modern algorithms and computational science to provide a route to predictive simulation of microstructure evolution on emerging exascale architectures. We are utilizing the fastest supercomputers in the world for modeling and simulation of microstructure evolution for generation of data under AM conditions. Solidification conditions in AM can be tailored for the reliable design of materials to specific performance requirements. Developing computational tools to further characterize alloys and correlate the processing-structure-properties-performance (PSPP) relationship.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Assessment of Mechanical Properties for Dissimilar Metal Welds: A Nondestructive Approach

Several engineering components are fabricated by joining similar or dissimilar materials. In the present investigation, welded joints between low alloy steel and austenitic stainless steel were considered. This assembly is one of the critical components in the heat transport system of water-cooled reactors of nuclear power plants. 309L austenitic stainless steel and IN 182 alloys were used for buttering low alloy steel during fabrication of joints. Weld metal was 308L austenitic stainless steel and IN 182, respectively, for the two assemblies. Buttering by 309L SS was performed by gas tungsten arc welding, and the same was done by shield metal arc welding at the time of applying IN 182. Joining of 304L SS and buttered assembly in both the cases was carried out by shield metal arc welding. Evaluation of Vickers micro-hardness was done across the weld centerline for both joints. Microstructure of different regions was examined for the joints. Apart from conventional destructive tests, ultrasonic evaluation of joints was also carried out to ensure weld integrity. In this respect, ultrasonic velocity in longitudinal and shear mode was measured along the transverse direction of the weld. Young’s modulus was determined using ultrasonic tests as well as from the average hardness of different regions. The obtained Young’s modulus by two different techniques revealed satisfactory co-relation. The Young’s modulus obtained from ultrasonic measurements was used to determine the yield strength of different regions across the welds. This technique proved to be useful in identifying the failure prone area across the welded joint.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Characterizing mechanical and microstructural properties of novel montmorillonite-rich polyethylene composites

Montmorillonite (MMT) clays are important industrial materials used as catalysts, chemical sorbents and fillers in polymer–clay nanocomposites. The layered structure of these clays has motivated research into further applications of these low-cost materials, including use as ion exchange media and solid-state ionic conductors. In these applications, the mechanical properties of MMT are key when considering long-term, reliable performance. Previous studies have focused on the mechanical properties of nanocomposites with MMT as the minority component or pure MMT thin films. In this work, the microstructure and mechanical properties of pure MMT and majority MMT/polyethylene composites pressed into dense pellets are examined. Characterization methods such as X-ray diffraction, atomic force microscopy and scanning electron microscopy together with nanoindentation reveal important structure–property relationships in the clay-based materials. Here, utilizing these techniques, we have discovered that MMT processing impacts the layered microstructure, chemical stability and, critically, the elastic modulus and hardness of bulk MMT samples. Particularly, the density of the pellets and the ordering of the clay platelets within them strongly influence the elastic modulus and hardness of the pellets. By increasing pressing force or by incorporating secondary components, the density, and therefore mechanical properties, can be increased. If the layered structure of the clay is destroyed by exfoliation, the mechanical properties will be compromised. Understanding these relationships will help guide new studies to engineer mechanically stable MMT-based materials for industrial applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Lattice rotations in precipitate free zones in an Al-Mg-Si alloy

Highlights: • Recovery processes in precipitate free zones differ from those in grain interiors. • Most precipitate free zones contain few dislocations, after deformation. • Deformation can induce large misorientations in precipitate free zones. • Some deformed precipitate free zones contain nanoscale grains. - Abstract: Scanning precession electron diffraction and automated crystal orientation mapping in a transmission electron microscope (TEM) have been applied to quantitatively study the crystal orientation of precipitate free zones (PFZs) of four GB regions in an AA6060 alloy in peak aged condition (temper T6) after uniaxial compression to 20% engineering strain. The PFZ width in the alloy was found to be w = 170 ± 40 nm. The results show that some PFZs develop significant misorientations relative to their parent grain, and represent, to the best knowledge of the authors, the first quantitative evidence of this. This misorientation may either be constant inside a particular PFZ, making it appear like a band or a very elongated subgrain, or be partitioned in discrete regions with a diameter comparable to the PFZ width, making the former PFZ into a collection of small grains. The band-like PFZ observed in this work had a misorientation relative to its parent grain of ≈ 7°, while the grain-like PFZ had grains with misorientations between ≈ 12° and ≈ 20° relative to its parent grain. The other PFZs that were observed had only limited misorientations relative to their parent grains, and had either dislocations perpendicular to the GB plane or a dislocation wall at the transition region. A general TEM study of the material at various engineering strains was also conducted and suggests that grain-like PFZs are more frequent for larger strains, indicating that the different PFZ features are likely due to different strain localisation in individual PFZs. This localisation is expected to be influenced by the orientation of the loading axis relative to crystal orientations and GB planes. It is also suggested that the different PFZ features engender different work hardening rates and possibly affect nucleation of intergranular fracture. The results support previous studies on the microstructure evolution of PFZs in age-hardenable aluminium alloys during deformation.

36 MATERIALS SCIENCE↗
NASA NTRS1983

The use of heterodyne speckle photogrammetry to measure high-temperature strain distributions

Thermal and mechanical strains have been measured on samples of a common material used in jet engine burner liners, which were heated from room temperature to 870 C and cooled back to 220 C, in a laboratory furnace. The physical geometry of the sample surface was recorded to select temperatures by means of a set of twelve single-exposure specklegrams. Sequential pairs of specklegrams were compared in a heterodyne interferometer which allowed high-precision measurement of differential displacements. Good speckle correlation was observed between the first and last specklegrams also, which showed the durability of the surface microstructure, and permitted a check on accumulated errors. Agreement with calculated thermal expansion was to within a few hundred microstrain over a range of fourteen thousand.

Stetson, K. A.↗
DOE OSTI2018

Protonic ceramic electrochemical cells for hydrogen production and electricity generation: exceptional reversibility, stability, and demonstrated faradaic efficiency

Here, we demonstrate exceptional performance for steam electrolysis at intermediate temperatures (500–650 °C) using protonic ceramic electrolyte cells comprised of the proton-permeable, high-activity mixed conductor PrBa 0.5 Sr 0.5 Co 1.5 Fe 0.5 O 5+δ (PBSCF) as the air electrode, the highly proton-conductive and chemically stable perovskite oxide BaZr 0.4 Ce 0.4 Y 0.1 Yb 0.1 O 3 (BZCYYb4411) as the electrolyte, and a composite of Ni–BZCYYb4411 as the fuel electrode. Cells constructed from this material set have been shown previously to function efficiently in fuel cell mode. We demonstrate here reversible operation, enabling hydrogen production when excess electricity is available and immediate electricity generation from stored hydrogen when power demand is high. The cells are stable under cyclic operation and also under prolonged continuous operation in electrolysis mode, undergoing minimal loss in electrochemical characteristics after 500 h at 550 °C. Microstructurally optimized cells yield a remarkable current density of -1.80 A cm -2 at 600 °C and an operating voltage of 1.3 V, of which, based on an electrochemically deduced faradaic efficiency of 76%, -1.37 A cm -2 contributes to useful hydrogen.

25 ENERGY STORAGE↗
NASA NTRS1995

NASA-UVA light aerospace alloy and structures technology program (LA2ST)

The NASA-UVa Light Aerospace Alloy and Structures Technology (LA2ST) Program was initiated in 1986 and continues with a high level of activity. Projects are being conducted by graduate students and faculty advisors in the Department of Materials Science and Engineering, as well as in the Department of Civil Engineering and Applied Mechanics, at the University of Virginia. Here, we report on progress achieved between July 1 and December 31, 1994. The objective of the LA2ST Program is to conduct interdisciplinary graduate student research on the performance of next generation, light-weight aerospace alloys, composites and thermal gradient structures in collaboration with NASA-Langley researchers. Specific technical objectives are presented for each research project. We generally aim to produce relevant data and basic understanding of material mechanical response, environmental/corrosion behavior, and microstructure; new monolithic and composite alloys; advanced processing methods; new solid and fluid mechanics analyses; measurement and modeling advances; and a pool of educated graduate students for aerospace technologies.

Starke, Edgar A., Jr.↗
NASA NTRS2019

Fatigue Behavior of Coated Titanium Alloys

Advanced multi-component TiAlCrTaSiN-based multilayered coatings were developed and processed onto Ti-6Al-4V (Ti-6-4) and GammaMet PX (GMPX or TiAl) alloys by a magnetron-enhanced physical vapor deposition technique. The coatings have recently been in development with the goal of improving advanced titanium alloy, turbine engine component durability and oxidation-erosion resistance. In this work, the performance of the multi-component coating system (including the outer layer nitride based coating and inner TiAlCrSi oxidation barrier bond coat) was studied, and the coating's influence on the fatigue behavior of the titanium-based alloys were compared. Although the multi-component coating was initially optimized to improve the coating's high temperature oxidation and erosion resistance, the lower ductility nitride-based coating needs further work on microstructure or composition to improve its mechanical stress resistance and strain tolerance for use in cyclically loaded, turbine blade operating conditions. This is particularly true for GMPX and other γ-TiAl alloys because these intermetallic titanium alloys have limited ductility and are very sensitive to defects such as coating cracks. However, the inner layer TiAlCrSi-coating had better adhesion and ductility, and may be a suitable choice to improve the oxidation resistance of titanium alloys.

Oxidation Barrier Coatings↗
NASA NTRS1994

Multiple Concentric Cylinder Model (MCCM) user's guide

A user's guide for the computer program mccm.f is presented. The program is based on a recently developed solution methodology for the inelastic response of an arbitrarily layered, concentric cylinder assemblage under thermomechanical loading which is used to model the axisymmetric behavior of unidirectional metal matrix composites in the presence of various microstructural details. These details include the layered morphology of certain types of ceramic fibers, as well as multiple fiber/matrix interfacial layers recently proposed as a means of reducing fabrication-induced, and in-service, residual stress. The computer code allows efficient characterization and evaluation of new fibers and/or new coating systems on existing fibers with a minimum of effort, taking into account inelastic and temperature-dependent properties and different morphologies of the fiber and the interfacial region. It also facilitates efficient design of engineered interfaces for unidirectional metal matrix composites.

Williams, Todd O.↗
DOE OSTI2019

A phase-field formulation for dynamic cohesive fracture

We extend a phase-field/gradient damage formulation for cohesive fracture to the dynamic case. The model is characterized by a regularized fracture energy that is linear in the damage field, as well as non-polynomial degradation functions. Two categories of degradation functions are examined, and a process to derive a given degradation function based on a local stress-strain response in the cohesive zone is presented. The resulting model is characterized by a linear elastic regime prior to the onset of damage, and controlled strain-softening thereafter. The governing equations are derived according to macro- and microforce balance theories, naturally accounting for the irreversible nature of the fracture process by introducing suitable constraints for the kinetics of the underlying microstructural changes. The model is complemented by an efficient staggered solution scheme based on an augmented Lagrangian method. Numerical examples demonstrate that the proposed model is a robust and effective method for simulating cohesive crack propagation, with particular emphasis on dynamic fracture.

42 ENGINEERING↗
NASA NTRS1983

Development of strain tolerant thermal barrier coating systems, tasks 1 - 3

Insulating ceramic thermal barrier coatings can reduce gas turbine airfoil metal temperatures as much as 170 C (about 300 F), providing fuel efficiency improvements greater than one percent and durability improvements of 2 to 3X. The objective was to increase the spalling resistance of zirconia based ceramic turbine coatings. To accomplish this, two baseline and 30 candidate duplex (layered MCrAlY/zirconia based ceramic) coatings were iteratively evaluated microstructurally and in four series of laboratory burner rig tests. This led to the selection of two candidate optimized 0.25 mm (0.010 inch) thick plasma sprayed partially stabilized zirconia ceramics containing six weight percent yttria and applied with two different sets of process parameters over a 0.13 mm (0.005 inch) thick low pressure chamber sprayed MCrAlY bond coat. Both of these coatings demonstrated at least 3X laboratory cyclic spalling life improvement over the baseline systems, as well as cyclic oxidation life equivalent to 15,000 commercial engine flight hours.

Anderson, N. P.↗
NASA NTRS2001

Thermally Stable Ohmic Contacts on Silicon Carbide Developed for High- Temperature Sensors and Electronics

The NASA aerospace program, in particular, requires breakthrough instrumentation inside the combustion chambers of engines for the purpose of, among other things, improving computational fluid dynamics code validation and active engine behavioral control (combustion, flow, stall, and noise). This environment can be as high as 600 degrees Celsius, which is beyond the capability of silicon and gallium arsenide devices. Silicon-carbide- (SiC-) based devices appear to be the most technologically mature among wide-bandgap semiconductors with the proven capability to function at temperatures above 500 degrees Celsius. However, the contact metalization of SiC degrades severely beyond this temperature because of factors such as the interdiffusion between layers, oxidation of the contact, and compositional and microstructural changes at the metal/semiconductor interface. These mechanisms have been proven to be device killers. Very costly and weight-adding packaging schemes that include vacuum sealing are sometimes adopted as a solution.

Okojie, Robert S.↗
DOE OSTI2019

Materials informatics: From the atomic-level to the continuum

We report that in recent years materials informatics, which is the application of data science to problems in materials science and engineering, has emerged as a powerful tool for materials discovery and design. This relatively new field is already having a significant impact on the interpretation of data for a variety of materials systems, including those used in thermoelectrics, ferroelectrics, battery anodes and cathodes, hydrogen storage materials, polymer dielectrics, etc. Its practitioners employ the methods of multivariate statistics and machine learning in conjunction with standard computational tools (e.g., density-functional theory) to, for example, visualize and dimensionally reduce large data sets, identify patterns in hyperspectral data, parse microstructural images of polycrystals, characterize vortex structures in ferroelectrics, design batteries and, in general, establish correlations to extract important physics and infer structure-property-processing relationships. In this Overview, we critically examine the role of informatics in several important materials subfields, highlighting significant contributions to date and identifying known shortcomings. We specifically focus attention on the difference between the correlative approach of classical data science and the causative approach of physical sciences. From this perspective, we also outline some potential opportunities and challenges for informatics in the materials realm in this era of big data.

36 MATERIALS SCIENCE↗