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At least 73 records · Page 4

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NASA NTRS1973

Irradiation of TZM: Uranium dioxide fuel pin at 1700 K

A fuel pin clad with TZM and containing solid pellets of uranium dioxide was fission heated in a static helium-cooled capsule at a maximum surface temperature of 1700 K for approximately 1000 hr and to a total burnup of 2.0 percent of the uranium-235. The results of the postirradiation examination indicated: (1) A transverse, intergranular failure of the fuel pin occurred when the fuel pin reached 2.0-percent burnup. This corresponds to 1330 kW-hr/cu cm, where the volume is the sum of the fuel, clad, and void volumes in the fuel region. (2) The maximum swelling of the fuel pin was less than 1.5 percent on the fuel-pin diameter. (3) There was no visible interaction between the TZM clad and the UO2. (4) Irradiation at 1700 K produced a course-grained structure, with an average grain diameter of 0.02 centimeter and with some of the grains extending one-half of the thickness of the clad. (5) Below approximately 1500 K, the irradiation of the clad produced a moderately fine-grained structure, with an average grain diameter of 0.004 centimeter.

Mcdonald, G. E.↗

DOE OSTI2022

Thermal Stability and Mechanical Properties of Cold-Sprayed Nickel-Yttria Coating

The microstructural evolution under the extreme environments imposed during cold spray deposition of cermet coatings and the microstructural recovery during post-processing annealing treatments is rather complex and not well understood. Here, Ni-Yttria cermet coatings on an SS304 substrate were produced using cold spray technique, resulting in a bimodal grain structure. The grain growth, phase stability, hardness, and wear properties are observed in as-deposited and annealed (at 400 °C) Ni-Yttria and pure Ni coatings. A multimodal microstructural characterization using electron microscopy, and atom probe tomography shows the structural and compositional stability of yttria particles and Ni grains. A fragmentation of Y-rich particles and dispersion in Ni was observed, however, no forced mixing/dissolution of Y in Ni is detected. Nano-yttria dispersed within the Ni grains slowed the grain growth during annealing. After annealing, Yttria reinforced coating was 1.5 times harder and showed better thermal and mechanical stability compared to the Ni coating.

Gwalani, Bharat↗

DOE OSTI2022

Multi-physics modeling of grain growth during solidification in electron beam additive manufacturing of Inconel 718

While experimental work has shown promising results regarding control of additive manufacturing metal grain structure, the effects of processing parameters on the grain structure is difficult to understand and predict from experiment alone. To this end, a modeling framework is developed which sequentially couples a macro-scale, semi-analytic thermal model, and a meso-scale, cellular automata-based microstructure model. This framework is applied to electron beam additive manufacturing of Inconel 718 using a complex spot scan pattern. The model shows that, with the same scan pattern, variations in the spot time and electron-beam current produce thermal histories with significant spatial and temporal differences, which then produce complex solidification conditions from the interplay between molten pools in the same layer and subsequent layers, resulting in vastly different grain structures. Additionally, it is noted that the framework can significantly reduce the computational expenses for coupled thermal-metallurgical problems, and has the potential to be used for component level problems.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Unraveling Thermodynamic and Kinetic Contributions to the Stability of Doped Nanocrystalline Alloys using Nanometallic Multilayers

Abstract Targeted doping of grain boundaries is widely pursued as a pathway for combating thermal instabilities in nanocrystalline metals. However, certain dopants predicted to produce grain‐boundary‐segregated nanocrystalline configurations instead form small nanoprecipitates at elevated temperatures that act to kinetically inhibit grain growth. Here, thermodynamic modeling is implemented to select the Mo–Au system for exploring the interplay between thermodynamic and kinetic contributions to nanostructure stability. Using nanoscale multilayers and in situ transmission electron microscopy thermal aging, evolving segregation states and the corresponding phase transitions are mapped with temperature. The microstructure is shown to evolve through a transformation at lower homologous temperatures (<600 °C) where solute atoms cluster and segregate to the grain boundaries, consistent with predictions from thermodynamic models. An increase in temperature to 800 °C is accompanied by coarsening of the grain structure via grain boundary migration but with multiple pinning events uncovered between migrating segments of the grain boundary and local solute clustering. Direct comparison between the thermodynamic predictions and experimental observations of microstructure evolution thus demonstrates a transition from thermodynamically preferred to kinetically inhibited nanocrystalline stability and provides a general framework for decoupling contributions to complex stability transitions while simultaneously targeting a dominant thermal stability regime.

25 ENERGY STORAGE↗

DOE OSTI2020

Imaging hole-density inhomogeneity in arsenic-doped CdTe thin films by scanning capacitance microscopy

We report nanometer-scale hole-density imaging in As-doped CdTe films by scanning capacitance microscopy (SCM). The hole-density profiling is validated by contrasting a CdTe cross-section sample made by molecular-beam epitaxy with systematically increased As doping in a staircase pattern over the range of 10 15 -10 18 /cm 3 within a single film. In polycrystalline films, the carrier distribution is significantly nonuniform, with inhomogeneity ranging from several hundred nm to several um and hole density varying by one order of magnitude (low 10^16 to low 10 17 /cm 3 ). This nonuniformity is distributed randomly, independent of the grain structure and grain boundaries (GBs). Kelvin probe force microscopy (KPFM) maps the surface potential and is correlated to cathodoluminescence (CL) and SCM by imaging over identical areas. Higher potential and lower CL intensity are found on GBs but not by SCM contrast; this indicates positive GB charging and recombination, but not GB-specific hole-density changes. The overall KPFM potential image is in rough agreement with the SCM carrier distribution and indicates band-edge potential fluctuations. Nonuniform carrier concentration, potential fluctuations, and defect recombination can all cause voltage and performance loss in As-doped CdTe solar technology.

14 SOLAR ENERGY↗

DOE OSTI2025

Advancing Cross-Sectional Scanning Electron Microscopy of Perovskite Solar Cells

Organic–inorganic perovskites are an emerging class of photovoltaic materials. Despite achieving power conversion efficiencies surpassing 26%, the challenge of perovskite stability including degradation during exposure to operational conditions such as light, heat, humidity, water, oxygen, and electric fields is well known. Related, perovskite instability has limited high-resolution electron imaging and characterization techniques that can be used for understanding degradation mechanisms. Furthermore, we demonstrate perovskite device cross-section preparation using mechanical polishing in a water-free environment with cryogenic Ar ion milling. Scanning electron microscopy was then used in both backscattered electron and secondary electron imaging modes to obtain information about layer structure, grain aggregate structure, and compositional heterogeneity. Monte Carlo CASINO simulations inform optimum beam conditions and image acquisition parameters and the effects of accelerating voltage, dwell times, and frame averaging for practical image acquisition are reported.

14 SOLAR ENERGY↗

DOE OSTI2020

Nanometer-Scale Imaging of Inhomogeneous Active Charge Carriers in Arsenic-Doped CdTe Thin Films

We report nanometer-scale imaging of active carrier distribution of As-doped CdTe films by scanning capacitance microscopy (SCM). We developed SCM sample preparation for CdTe by ion-milling followed by thermal processing. The nanometer-resolution carrier delineation for CdTe was validated by imaging on a CdTe cross-section sample made by a molecular beam epitaxy layer stack with As-doping concentrations of 10^15 ~10^18 /cm 3 . We found that the carrier distribution in As-doped films was significantly nonuniform, with inhomogeneity ranging from sub-um to a few um and concentration variation of one order of magnitude (low 10^16 to low 10^17 /cm 3 ). This nonuniformity is distributed randomly, independent of grain structure and grain boundary (GB). We used Kelvin probe force microscopy (KPFM) and cathodoluminescence (CL) to further map the surface potential and radiative illumination on the same area as the SCM image. Higher potential and lower CL intensity were found on GBs but not on SCM contrast, illustrating positive GB charging and GB recombination but not GB-distinguished doping. The overall KPFM potential image is in rough agreement with the SCM carrier distribution, in terms of Fermi-level position relative to the bandgap edge - thus resulting in the band-edge potential fluctuation. Nonuniform carrier concentration, potential fluctuation, and defect recombination can all together cause the Voc deficit of the As-doped CdTe device.

14 SOLAR ENERGY↗

NASA NTRS1991

Ultrasonic evaluation of oxidation and reduction effects on the elastic behavior and global microstructure of YBa2Cu3O7-x

Ultrasonic velocity measurement techniques were used to evaluate the effects of oxidation and reduction on the elastic properties, global microstructure and oxygen content of the YBa2Cu3O(7-x) ceramic superconductor for samples ranging from 70 to 90 pct. of theoretical density. Bulk density, velocity, and elastic modulus generally increased with increasing oxygen content upon oxidation, and this behavior was reversible. Velocity image patterns were similar after oxidation and reduction treatments for a 90 pct. dense sample, although the velocity value at any given point on the sample was changed following the treatments. The unchanging pattern correlated with destructive measurements showing that the spatial pore distribution (fraction and size) was not measurably altered after the treatments. Changes in superconducting behavior, crystal structure, and grain structure were observed consistent with changes in oxygen content.

Roth, Don J.↗

NASA NTRS1992

Ultrasonic evaluation of oxygen content, modulus, and microstructure changes in YBa2Cu3O(7-x) occurring during oxidation and reduction

Ultrasonic velocity measurement techniques were used to evaluate the effects of oxidation and reduction on the elastic properties, global microstructure and oxygen content of the YBa2Cu3O(7-x) ceramic superconductor for samples ranging from 70 to 90 pct of theoretical density. Bulk density, velocity, and elastic modulus generally increased with increasing oxygen content upon oxidation, and this behavior was reversible. Velocity image patterns were similar after oxidation and reduction treatments for a 90 pct. dense sample, although the velocity value at any given point on the sample was changed following the treatments. The unchanging pattern correlated with destructive measurements showing that the spatial pore distribution (fraction and size) was not measurably altered after the treatments. Changes in superconducting behavior, crystal structure, and grain structure were observed consistent with changes in oxygen content.

Roth, Don J.↗

NASA NTRS1973

Deformation and annealing response of TD-nickel chromium sheet

The deformation and annealing response of TD-nickel chromium (TD-NiCr) 0.1 inch thick sheet was examined using various cold-rolling and annealing treatments. Upon annealing (above 816 C (1500 F), the as-received material was converted from an initially ultra-fine grain size (average grain dimension 0.51 micron) to a large grain structure. Increases in grain size by a factor of 100 to 200 were observed for this transformation. However, in those material states where the large grain transformation was absent, a fine grain recrystallized structure formed upon annealing (above 732 C (1350 F)). The deformation and annealing response of TD-NiCr sheet was evaluated with respect to the processing related variables as mode and severity of deformation and annealing temperature. Results indicate that the large grain transformation, classical primary recrystallization occurs. Using selected materials produced during the deformation and annealing study, the elevated temperature tensile properties of TD-NiCr sheet were examined in the temperature range 593 C (1100 F) to 1093 C (2000 F). It was observed that the elevated temperature tensile properties of TD-NiCr sheet could be optimized by the stabilization of a large grain size in this material using the cold working and/or annealing treatments developed during the present investigation.

Kane, R. D.↗

NASA NTRS1986

Analytical ultrasonics for structural materials

The application of ultrasonic velocity and attenuation measurements to characterize the microstructure of structural materials is discussed. Velocity measurements in cast stainless steel are correlated with microstructural variations ranging from equiaxed (elastically isotropic) to columnar (elastically anisotropic) grain structure. The effect of the anisotropic grain structure on the deviation of ultrasonic waves in cast stainless steel is also reported. Field-implementable techniques for distinguishing equiaxed from columnar grain structures in cast strainless steel structural members are presented. The application of ultrasonic velocity measurements to characterize structural ceramics in the green state is also discussed.

Kupperman, D. S.↗

NASA NTRS1972

An electron microscopy examination of primary recrystallization in TD-nickel.

Primary recrystallization in TD-nickel 1 in. bar has previously been regarded as the process by which the initial fine grain structure is converted to a coarse grain size (increases in grain size by 500 times) under suitable deformation and annealing conditions. This process is dependent on deformation mode. While it occurs readily after rolling transverse to the bar axis and annealing (800 C), it is completely inhibited by longitudinal rolling and swaging deformations, even for very high (1320 C) annealing temperatures. A transmission electron microscopy examination of deformation and annealing substructures indicates that primary recrystallization in TD-nickel 1 in. bar actually occurs on the sub-light optical level, to produce a grain structure similar in size to the initial fine grained state.

Petrovic, J. J.↗

NASA NTRS1984

Fabrication development for ODS-superalloy, air-cooled turbine blades

MA-600 is a gamma prime and oxide dispersion strengthened superalloy made by mechanical alloying. At the initiation of this program, MA-6000 was available as an experimental alloy only and did not go into production until late in the program. The objective of this program was to develop a thermal-mechanical-processing approach which would yield the necessary elongated grain structure and desirable mechanical properties after conventional press forging. Forging evaluations were performed to select optimum thermal-mechanical-processing conditions. These forging evaluations indicated that MA-6000 was extremely sensitive to die chilling. In order to conventionally hot forge the alloy, an adherent cladding, either the original extrusion can or a thick plating, was required to prevent cracking of the workpiece. Die design must reflect the requirement of cladding. MA-6000 was found to be sensitive to the forging temperature. The correct temperature required to obtain the proper grain structure after recrystallization was found to be between 1010-1065 C (1850-1950 F). The deformation level did not affect subsequent crystallization; however, sharp transition areas in tooling designs should be avoided in forming a blade shape because of the potential for grain structure discontinuities. Starting material to be used for forging should be processed so that it is capable of being zone annealed to a coarse elongated grain structure as bar stock. This conclusion means that standard processed bar materials can be used.

Moracz, D. J.↗

NASA NTRS1984

Interpretation of planetary stress systems: Determination of tectonic over-printing in Northwest Wyoming

Structural and tectonic interpretations of planetary surfaces rely strongly on visual determination of regional structural grain. This grain can be very complex and confusing, and sorting out of discrete trends in time and space is of utmost importance. This study is a test of these techniques applied to a well known area having several discrete structural grains. In the Bighorn Basin region of Wyoming, a largely overlooked N10E structural grain has been verified with detailed structural analysis and indicates a significant change in stress orientation at the end of the Laramide orogeny.

Wise, D. U.↗

DOE OSTI2020

Grain boundary structure search by using an evolutionary algorithm with effective mutation methods

Grain boundaries (GBs) accommodate the misorientation between adjacent grains in a polycrystalline material. GBs are geometrically described by the macroscopic and microscopic degrees of freedom. Besides, at the atomistic level, GBs exhibit complicated behaviors under varying thermodynamic conditions. The complexity of atomistic GB structures demands stochastic searching for possible states. The effectiveness of stochastic search methods relies on techniques to recreate and select atomistic structures. In this work, we developed a new mutation operator that can induce direct and collective atomistic structure changes to boost the search efficiency of exploring GB structures with evolutionary algorithms (EA). We implemented the mutation methods along with innovative selection, crossover, boundary condition preprocessing methods to form an EA-based package to explore GB structures in grand canonical ensembles with atomistic simulations. We used this package to study the [001] symmetric tilt grain boundaries (STGBs) in FCC copper (Cu), the [110] STGBs in BCC tungsten (W), and the $[1\bar{2}10]$ STGBs in HCP magnesium (Mg). The results show that our design and implementation based on new mutation procedures, selection, and boundary conditions provide a high-quality search of atomistic GB structures in the grand canonical ensemble for different crystal lattices.

36 MATERIALS SCIENCE↗

NASA NTRS1982

The influence of gamma prime on the recrystallization of an oxide dispersion strengthened superalloy - MA 6000E

The requirement of large, recrystallized, highly elongated grains is of primary importance to the development of suitable high temperature properties in oxide dispersion strengthened-superalloys. In the present study the recrystallization behavior of MA 6000E, a recently developed Y2O3 strengthened superalloy produced by mechanical alloying, was examined using transmission and replication microscopy. Gradient and isothermal annealing treatments were applied to extruded and hot rolled products. It was found that conversion from a very fine (0.2 micron) grain structure to a coarse (approximately 10 mm) grain structure is controlled by the dissolution of the gamma prime phase, while grain shape was controlled primarily by the thermal gradient. The fine uniform oxide dispersion appeared to have only a secondary influence in determining the grain shape as columnar grains could be grown transverse to the working direction by appropriate application of the thermal gradient.

Hotzler, R. K.↗

DOE OSTI2026

GBOpt: Grain boundary structure optimization using Monte Carlo and evolutionary algorithms

Polycrystalline materials are made of many small crystals separated by grain boundaries (GBs), whose atomic structure strongly influences material properties. Because the structure of a GB determines its properties, the optimal structure must be known in order to determine those impacts. There are many ways of placing atoms in the GB region, but the optimal structure is defined as the one that gives the lowest value of a target property (typically energy). GB structure optimization has been successfully demonstrated using stochastic and evolutionary methods, but no reusable, community-maintained open-source workflow has been developed. GBOpt (Grain Boundary Optimization) is an open-source Python package that creates that workflow, where we have presently implemented two approaches: Markov Chain Monte Carlo, and genetic algorithm based on elite selection. We demonstrate this capability by successfully reproducing the known optimal structures of a specific GB in two materials, and point interested readers to the GitHub repository for additional examples, including optimization for different properties. Both of the implemented approaches recovered the known structures, with the genetic algorithm approach finding the optimal structure faster on average.

99 - GENERAL AND MISCELLANEOUS↗

DOE OSTI2020

Phase field modeling of discontinuous dynamic recrystallization in hot deformation of magnesium alloys

We have developed a quantitative phase field model of discontinuous dynamic recrystallization (PF-DDRX) for investigating grain structure evolution and its impact on mechanical response in magnesium alloy during hot deformation. A set of isothermal compression tests were conducted by Gleeble thermo-mechanical simulator and used to determine PF-DDRX model parameters such as critical stresses of recrystallization, activation energies of dislocation, grain boundaries and recrystallization grain nucleation. In the simulations, the experimentally measured average grain size and distribution were used to generate initial microstructures. The results show that the typical ‘necklace’ microstructures observed in DDRX forms at the earlier stage of recrystallization. The inhomogeneity of microstructures first increases rapidly and then decreases gradually and reaches a constant with the increase of dynamic recrystallization volume fraction. Both predicted grain structure and mechanical response are in good agreement with experimental results. This demonstrates that the model parameters determined by experimental data are reliable for the developed PF-DDRX model to predict the grain structure evolution and flow behavior of AZ80 magnesium alloy under hot deformation. This work presents a path to combine experiments and modeling to give quantitative prediction and minimize experimental cost.

magnesium alloy, Phase field method, dynamic recry↗