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At least 739 records · Page 41

Evaluations of Additively Manufactured Superalloy Lattice Blocks

Cast lattice block structures made up of high-temperature superalloys were previously shown to offer advantages in density, efficiency, and tailored properties. However, inconsistencies in casting die-fill, composition, and microstructure were identified as persistent issues with the casting process path. Three candidate lattice designs were screened through additive manufacturing of a superalloy. Laser powder bed fusion was applied with superalloy powder to produce lattice blocks for three-dimensional octahedral unit-cell designs of three heights. Properties of the structural designs versus additively manufactured lattices were compared, including structural dimensions, densities, defects, grain structures, crystallographic texture, and surface residual stresses. Findings indicate this concept could produce useful superalloy structures for high-temperature-capable static components requiring tailored density, and thermophysical and mechanical properties.

superalloy↗

app_hybridPotts-phasefield.cpp

This application simulates microstructural and compositional evolution in two-phase, two-component systems. It is designed to run within the SPPARKS solver and combines the kMC with solution to the Cahn-Hilliard Eq. for phase field.

Source record↗

Shortening the Design and Certification Cycle for Additively Manufactured Materials by Improved Mesoscale Simulations and Validation Experiments: Fiscal Year 2019 Status Report.

This report outlines the fiscal year (FY) 2019 status of an ongoing multi-year effort to develop a general, microstructurally-aware, continuum-level model for representing the dynamic response of material with complex microstructures. This work has focused on accurately representing the response of both conventionally wrought processed and additively manufactured (AM) 304L stainless steel (SS) as a test case. Additive manufacturing, or 3D printing, is an emerging technology capable of enabling shortened design and certification cycles for stockpile components through rapid prototyping. However, there is not an understanding of how the complex and unique microstructures of AM materials affect their mechanical response at high strain rates. To achieve our project goal, an upscaling technique was developed to bridge the gap between the microstructural and continuum scales to represent AM microstructures on a Finite Element (FE) mesh. This process involves the simulations of the additive process using the Sandia developed kinetic Monte Carlo (KMC) code SPPARKS. These SPPARKS microstructures are characterized using clustering algorithms from machine learning and used to populate the quadrature points of a FE mesh. Additionally, a spall kinetic model (SKM) was developed to more accurately represent the dynamic failure of AM materials. Validation experiments were performed using both pulsed power machines and projectile launchers. These experiments have provided equation of state (EOS) and flow strength measurements of both wrought and AM 304L SS to above Mbar pressures. In some experiments, multi-point interferometry was used to quantify the variation is observed material response of the AM 304L SS. Analysis of these experiments is ongoing, but preliminary comparisons of our upscaling technique and SKM to experimental data were performed as a validation exercise. Moving forward, this project will advance and further validate our computational framework, using advanced theory and additional high-fidelity experiments.

36 MATERIALS SCIENCE↗

Bio-inspired strategies for next-generation perovskite solar mobile power sources

Smart electronic devices are becoming ubiquitous due to many appealing attributes including portability, long operational time, rechargeability and compatibility with the user-desired form factor. Integration of mobile power sources (MPS) based on photovoltaic technologies with smart electronics will continue to drive improved sustainability and independence. With high efficiency, low cost, flexibility and lightweight features, halide perovskite photovoltaics have become promising candidates for MPS. Realization of these photovoltaic MPS (PV-MPS) with unconventionally extraordinary attributes requires new ‘out-of-box’ designs. Natural materials have provided promising designing solutions to engineer properties under a broad range of boundary conditions, ranging from molecules, proteins, cells, tissues, apparatus to systems in animals, plants, and humans optimized through billions of years of evolution. Applying bio-inspired strategies in PV-MPS could be biomolecular modification on crystallization at the atomic/meso-scale, bio-structural duplication at the device/system level and bio-mimicking at the functional level to render efficient charge delivery, energy transport/utilization, as well as stronger resistance against environmental stimuli (e.g., self-healing and self-cleaning). In this paper, we discuss the bio-inspired/-mimetic structures, experimental models, and working principles, with the goal of revealing physics and bio-microstructures relevant for PV-MPS. Here the emphasis is on identifying the strategies and material designs towards improvement of the performance of emerging halide perovskite PVs and strategizing their bridge to future MPS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of Shape Memory Alloys- Challenges and Solutions

Shape memory alloys (SMAs) are a unique class of multifunctional materials that have the ability to recover large deformations or generate high stresses in response to thermal, mechanical andor electromagnetic stimuli. These abilities have made them a viable option for actuation systems in aerospace, medical, and automotive applications, amongst others. However, despite many advantages and the fact that SMA actuators have been developed and used for many years, so far they have only found service in a limited range of applications. In order to expand their applications, further developments are needed to increase their reliability and stability and to address processing, testing and qualification needed for large-scale commercial application of SMA actuators. In this seminar, historical inhibitors of SMA applications and current research efforts by NASA Glenn Research Center and collaborators will be discussed. Relationships between fundamental physicalscientific understanding, and the direct transition to engineering and design of mechanisms using these novel materials will be highlighted. Examples will be presented related to targeted alloy development, microstructural control, and bulk-scale testing as a function of stresses, temperatures and harsh environments. The seminar will conclude with a summary of SMA applications under development and current advances.

Shape Memory Alloy↗

Integrated Predictive Tools for Customizing Microstructure and Material Properties of Additively Manufactured Aerospace Components

Additive Manufacturing (AM) refers to a process by which digital three-dimensional (3-D) design data is converted to build up a component by depositing material layer-by-layer. United Technologies Corporation (UTC) is currently involved in fabrication and certification of several AM aerospace structural components made from aerospace materials. This is accomplished by using optimized process parameters determined through numerous design-of-experiments (DOE)-based studies. Certification of these components is broadly recognized as a significant challenge, with long lead times, very expensive new product development cycles and very high energy consumption. Because of these challenges, United Technologies Research Center (UTRC), together with UTC business units have been developing and validating an advanced physics-based process model. The specific goal is to develop a physics-based framework of an AM process and reliably predict fatigue properties of built-up structures as based on detailed solidification microstructures. Microstructures are predicted using process control parameters including energy source power, scan velocity, deposition pattern, and powder properties. The multi-scale multi-physics model requires solution and coupling of governing physics that will allow prediction of the thermal field and enable solution at the microstructural scale. The state-of-the-art approach to solve these problems requires a huge computational framework and this kind of resource is only available within academia and national laboratories. The project utilized the parallel phase-fields codes at Oak Ridge National Laboratory (ORNL) and Lawrence Livermore National Laboratory (LLNL), along with the high-performance computing (HPC) capabilities existing at the two labs to demonstrate the simulation of multiple dendrite growth in threedimensions (3-D). The LLNL code AMPE was used to implement the UTRC phase field model that was previously developed for a model binary alloy, and the simulation results were compared against the UTRC simulation results, followed by extension of the UTRC model to simulate multiple dendrite growth in 3-D. The ORNL MEUMAPPS code was used to simulate dendritic growth in a model ternary alloy with the same equilibrium solidification range as the Ni-base alloy 718 using realistic model parameters, including thermodynamic integration with a Calphad based model for the ternary alloy. Implementation of the UTRC model in AMPE met with several numerical and parametric issues that were resolved and good comparison between the simulation results obtained by the two codes was demonstrated for two dimensional (2-D) dendrites. 3-D dendrite growth was then demonstrated with the AMPE code using nondimensional parameters obtained in 2-D simulations. Multiple dendrite growth in 2-D and 3-D were demonstrated using ORNL’s MEUMAPPS code using simple thermal boundary conditions. MEUMAPPS was then modified to incorporate the complex, time-dependent thermal boundary conditions obtained by UTRC’s thermal modeling of single track AM experiments to drive the phase field simulations. The results were in good agreement with UTRC’s experimental measurements.

36 MATERIALS SCIENCE↗

Robust Joining and Integration of Advanced Ceramics and Composites: Challenges, Opportunities, and Realities

Advanced ceramics and fiber reinforced composites are under active consideration for use in a wide variety of high temperature applications within the aeronautics, space transportation, energy, and nuclear industries. The engineering designs of ceramic and composite components require fabrication and manufacturing of large and complex shaped parts of various thicknesses. In many instances, it is more economical to build up complex shapes by joining simple geometrical shapes. In addition, these components have to be joined or assembled with metallic sub-components. Thus, joining and attachment have been recognized as enabling technologies for successful utilization of ceramic components in various demanding applications. In this presentation, various challenges and opportunities in design, fabrication, and testing of high temperature joints in advanced ceramics and ceramic matrix composites will be presented. Silicon carbide based advanced ceramics and fiber reinforced composites in different shapes and sizes, have been joined using an affordable, robust ceramic joining technology. In addition, some examples of metal-ceramic brazing will also be presented. Microstructure and high temperature mechanical properties of joints in silicon carbide ceramics and composites will be reported. Various joint design philosophies and design issues in joining of ceramics and composites will be discussed.

Singh, Mrityunjay↗

Plastic flow and microstructural instabilities during high-pressure torsion of Cu/ZnO composites

Highlights: • Hybrid bulk metal - ceramic nanoparticle material was processed by HPT. • ZnO nanoparticles exhibited significant plasticity of up to 86%. • Hydrodynamic instability determined the flow mode of ZnO particle clusters. • Microstructural stability of Cu decreased due to the co-deformation with ZnO. - Abstract: We conducted high-pressure torsion (HPT) of hybrid materials composed of two copper disks with a layer of ZnO ceramic nanoparticles sandwiched in-between. A detailed microstructural analysis of the processed samples revealed a surprisingly high level of plastic deformation introduced in individual ZnO particles, even though they possess a much high hardness than the surrounding Cu. Moreover, we demonstrated that by tailoring the initial geometry of the system (i.e. introducing holes in the cladding Cu disks), we can effectively change the flow mode of ZnO particle clusters from laminar to turbulent one and facilitate their deagglomeration process. Finally, the presence of ZnO particles decreased the microstructural stability of the Cu matrix. We discussed the obtained results in terms of hydrodynamic and microstructural instabilities during plastic deformation. This work expands our understandings of the cooperative severe plastic deformation of two dissimilar materials and sheds new light on the design of hybrid materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

A Stochastic Reduced-Order Model for Statistical Microstructure Descriptors Evolution

Integrated computational materials engineering (ICME) models have been a crucial building block for modern materials development, relieving heavy reliance on experiments and significantly accelerating the materials design process. However, ICME models are also computationally expensive, particularly with respect to time integration for dynamics, which hinders the ability to study statistical ensembles and thermodynamic properties of large systems for long time scales. To alleviate the computational bottleneck, we propose to model the evolution of statistical microstructure descriptors as a continuous-time stochastic process using a non-linear Langevin equation, where the probability density function (PDF) of the statistical microstructure descriptors, which are also the quantities of interests (QoIs), is modeled by the Fokker–Planck equation. In this work, we discuss how to calibrate the drift and diffusion terms of the Fokker–Planck equation from the theoretical and computational perspectives. The calibrated Fokker–Planck equation can be used as a stochastic reduced-order model to simulate the microstructure evolution of statistical microstructure descriptors PDF. Considering statistical microstructure descriptors in the microstructure evolution as QoIs, we demonstrate our proposed methodology in three integrated computational materials engineering (ICME) models: kinetic Monte Carlo, phase field, and molecular dynamics simulations.

97 MATHEMATICS AND COMPUTING↗

Microstructural development of electron beam processed Al-3Ti-1Sc alloy under different electron beam scanning speeds

A systematic study has been made of the microstructural development in as-cast 30 mm thick Al-3Ti-1Sc (wt%) plate samples that were processed by electron beam (EB) melting at different scanning speeds of 3, 5, 8, 12, 15 and 20 mm/s. The composition of the alloy is designed to capitalize on the potential for significantly extended solubility values of both Sc and Ti in Al when cooled at high cooling rates. The resulting microstructures are characterised using transmission electron microscopy (TEM) and other analytical means, assisted with Thermo-Calc predictions and Vicker's microhardness measurements. EB scanning speed plays a key role in determining the phase formation and microstructural development in the Al-3Ti-1Sc alloy when the beam is applied an accelerating voltage of 50 kV and a current of 30 μA. The major microstructural features in the re-solidified zone include (i) the formation of the primary tetragonal Al{sub 3}(Ti,Sc) phases and their retention or subsequent transformation to stable cubic Al{sub 3}(Ti,Sc) phases; (ii) the complete suppression of the primary tetragonal Al{sub 3}(Ti,Sc) phases at the scanning speed of 20 mm/s; and (iii) the formation of cubic Al{sub 3}(Ti,Sc) precipitates in the α(Al) matrix supersaturated with both Sc and Ti. These experimental findings are informative for both EB processing of Al-Ti-Sc alloys and the design of new Al alloys for additive manufacturing processes.

36 MATERIALS SCIENCE↗

Predictive Tools for Customizing Heat Treatment of Additively Manufactured Aerospace Components

Laser-bed powder fusion (LBPF) additive manufacturing is increasingly being used to produce components of complex geometries using the Ni-base superalloy Inconel 718. The composition and the microstructure of the alloy are currently well optimized for wrought components made using conventional manufacturing processes such as rolling, forging, extrusion, etc. The attractive mechanical properties of the alloy result from the underlying austenitic matrix with fine equiaxed grains, and a high density and uniform distribution of the precipitation hardening phase, γ". Heat treatment steps such as homogenization, solutioning and aging are well documented for the wrought alloy. However, when the same wrought alloy compositions are used for the additive manufacturing (AM) processes, the asprocessed microstructure is significantly different, because of the different thermal history associated with LBPF, including rapid solidification and multiple temperature excursions that lead to multiple re-melting and reheating in the solid state. Rapid solidification introduces potential non-equilibrium effects at the moving solid-liquid interfaces that impact the extent of solute segregation, as well as the morphology of the dendritic grains that form. In order to recover the target mechanical properties, AM components have to undergo post-process heat treatments. However, such heat treatments have to be custom designed for the AM process and the component geometry because of the expected vast differences in the microstructure at various locations of a component with complex geometry. The homogenization and precipitation steps should be optimized for the component so that target mechanical properties can be obtained throughout the part. The objective of this research is to utilize High Performance Computing in phase field simulations of microstructure evolution during post-processing of AM components. The physics-based modeling will be beneficial in reducing the experimental effort required for heat treatment process selection, optimization, and certification, thus leading to a significant reduction in energy consumption for AM and post-processing heat treatment. The optimization study will help identify heat treatments steps that are critical for development of a final desired microstructure with the minimum energy input. This combined with shortening of the production cycle (time-to-market) by reducing the number of failed parts (property targets), and reduction in the number of iterations for process optimization, will enable 30-40% savings in the energy costs. Phase field simulations of the degree of homogenization and the effect of local matrix composition on the nucleation and growth of competing precipitating phases were performed using the Microstructure Evolution Using Massively Parallel Phase Field Simulations code developed in-house at the Oak Ridge National Laboratory. The simulations were able to successfully capture the kinetics of nucleation and growth, and morphologies of various precipitating phases as a function of local matrix compositions and composition gradients characteristic of local microstructures arising from location-dependent variations in the thermal conditions. Future work will involve extending the simulations to a length scale consisting of multiple dendrites, so that the effect of homogenization on the coarsening of the dendrites can be simulated and used as an additional input to the optimization of the heat treatment process.

36 MATERIALS SCIENCE↗

3D-ink-printing of monocrystalline YBCO superconductor

Single-crystal microstructure can bring high performance for many materials includingpiezoelectrics1, 2, semiconductors3, 4, and cuprate superconductors5. Unlike single-crystal metalsthat can be machined into complex components6, most single-crystal ceramics are limited to theshape of thin films or plates due to their brittleness. However, more designs of advanced devicesneed to break these geometric limitations. 3D-ink-printing can efficiently fabricate complex architectured ceramics, but the microstructure is polycrystals. Here, for the first time, we demonstrate a route to grow single-crystal on 3D printed ceramic-YBa2Cu3O7-x (YBCO)superconductors that can simultaneously have complex architectures and high critical currentdensity. An ink containing precursor powders was 3D extruded and sintered to obtain polycrystalYBCO micro-lattices. A single-crystal seed is then utilized to grow single crystal on 3D-printedmicro-lattices by melt growth method. We found that the geometric details of 3D printed microlatticecan survive after it went through liquid + solid phase region above its peritectic temperature.More complex YBCO single-crystal parts, such as horizontal and toroidal coils, were thensuccessfully fabricated. In addition, Origami can be implemented on our 3D printed sample to increase their complexity. This research provides a new way to develop superconducting devicessuch as undulators for synchrotron radiation and microwave cavities for dark-matter axion search7.We expect this new process will inspire more studies about 3D printing of single-crystal ceramics. For example, 3D printing of BaTiO3 can be developed to grow a single crystal8 for the applications of dielectric capacitors and transducers.

43 PARTICLE ACCELERATORS↗

Irradiation of Wrought FeCrAl Tubes in the High Flux Isotope Reactor

The Advanced Fuels Campaign within the Nuclear Technology Research and Development program of the Department of Energy Office of Nuclear Energy is seeking to improve the accident tolerance of light water reactors. Alumina-forming ferritic alloys (e.g., FeCrAl) are one of the leading candidate materials for fuel cladding to replace traditional zirconium alloys because of the superior oxidation resistance of FeCrAl. However, there are still some unresolved questions regarding irradiation effects on the microstructure and mechanical properties of FeCrAl at end-of-life dose levels. In particular, there are concerns related to irradiation-induced embrittlement of FeCrAl alloys due to secondary phase formation. To address this issue, Oak Ridge National Laboratory has developed a new experimental design to irradiate shortened cladding tube specimens with representative 17×17 array pressurized water reactor diameter and thickness in the High Flux Isotope Reactor (HFIR) under relevant temperatures (300–350°C). Post-irradiation examination will include studies of dimensional change, microstructural changes, and mechanical performance. This report briefly summarizes the capsule design concept and the irradiation test matrix for six rabbit capsules. Each rabbit contains two FeCrAl alloy tube specimens. The specimens include Generation I and Generation II FeCrAl alloys with varying processing conditions, Cr concentrations, and minor alloying elements. The rabbits were successfully assembled, welded, evaluated, and delivered to the HFIR along with a complete quality assurance fabrication package. Pictures of the rabbit assembly process and detailed dimensional inspection of select specimens are included in this report. The rabbits were inserted into HFIR starting in cycle 472 (May 2017).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Proposed Laser-driven, Dielectric Microstructure Few-cm Long Undulator for Attosecond Coherent X-rays

This article presents the concept of an all-dielectric laser-driven undulator for the generation of coherent X-rays. The proposed laser-driven undulator is expected to produce internal deflection forces equivalent to a several-Tesla magnetic field acting on a speed-of-light particle. The key idea for this laser-driven undulator is its ability to provide phase synchronicity between the deflection force and the electron beam for a distance that is much greater than the laser wavelength. The potential advantage of this undulator is illustrated with a possible design example that assumes a small laser accelerator which delivers a 2 GeV, 1 pC, 1 kHz electron bunch train to a 10 cm long, 1/2 mm period laser-driven undulator. Such an undulator could produce coherent X-ray pulses with {approx}10{sup 9} photons of 64 keV energy. The numerical modeling for the expected X-ray pulse shape was performed with GENESIS, which predicts X-ray pulse durations in the few-attosecond range. Possible applications for nonlinear electromagnetic effects from these X-ray pulses are briefly discussed.

36 MATERIALS SCIENCE↗

GeoMicro3D: A novel numerical model for simulating the reaction process and microstructure formation of alkali-activated slag

Highlights: • The GeoMicro3D model was innovatively developed for simulating the reaction process and microstructure formation of AAS. • In GeoMicro3D, the dissolution of slag and reactions of aqueous ions are fundamentally described in the local lattice cell. • A novel approach is proposed to speed up the nucleation simulations. • GeoMicro3D was implemented and verified with the relevant experimental data and thermodynamic calculation results. For the first time, this study developed a novel model, named GeoMicro3D, to simulate the reaction process and microstructure formation of alkali-activated slag. The GeoMicro3D model consists of four modules that are designed to simulate, respectively: (i) the initial spatial distribution of real-shape slag particles in alkaline activator, (ii) the dissolution of slag and diffusion of ions via the transition state theory and lattice Boltzmann method, respectively, (iii) the spatial distribution of reaction products using a nucleation probability theory, and (iv) the chemical reactions with thermodynamic modelling. Afterwards the GeoMicro3D model was implemented and verified. The simulation results were discussed and compared with the relevant experimental data and thermodynamic calculation results using GEMS. A good agreement was found in the comparisons, showing the strong simulation capability of GeoMicro3D.

36 MATERIALS SCIENCE↗

Custom-designed heat treatment simultaneously resolves multiple challenges facing 3D-printed single-crystal superalloys

Single-crystal Ni-based superalloys are currently the material of choice for turbine blade applications, especially with the emerging additive manufacturing (AM) that facilitates the manufacture/repair of these single crystals. This promising AM route, however, comes with a dilemma: in the fusion and heat affected zones after e-beam or laser induced melting, one needs a solutionizing annealing to relieve the residual stresses and homogenize the chemical/microstructure. The super-solvus solutionizing temperature is usually adopted from the protocol for the cast superalloys, which almost always causes recrystallization and stray grain growth, resulting in a polycrystalline microstructure and degrading the high-temperature mechanical performance. Here, in this paper, we demonstrate a custom-designed post-printing heat treatment to replace the conventional super-solvus one. The recovery and relatively low temperature diminish the driving force for recrystallization and the movement of stray grain boundaries, without suffocating the chemical/microstructural homogenization thanks to the narrow dendrite width and short element segregation distance. The optimal duration of the heat treatment is proposed to achieve atomic-diffusion mediated chemical homogenization while limiting γ'-particle coarsening in the interdendritic regions. Our strategy makes it practically feasible to resolve several bottleneck problems with one processing/treatment, removing a seemingly formidable obstacle to effective additive manufacturing of superalloy single crystal products.

36 MATERIALS SCIENCE↗

Coupling Thermomechanical Processing and Alloy Design to Improve Textures in Mg-Zn-Ca Sheet Alloys

Abstract The effect of Ca and Zn additions on the microstructure and texture evolution during thermomechanical processing of Mg-Zn-Ca sheet alloys was systematically investigated and quantified. Plane strain compression testing in a Gleeble thermomechanical simulator was used to physically simulate a 10-pass rolling schedule, while allowing for careful control and monitoring of the processing parameters. Textures in the as-deformed ternary alloy samples demonstrate a weak maximum basal intensity and spreading in the transverse direction. Increasing the Zn content to 3.2 wt.% in the ternary alloys resulted in samples that exhibited weak textures in the as-deformed state. Importantly, static recrystallization (SRX) during post-deformation annealing of these alloys promoted a desirable annular texture, with the c -axis tipped from the normal direction and a lower basal texture intensity. The evolution in texture during SRX is associated with as-deformed microstructures with broad grain orientation spreads and a low degree of recrystallization.

36 MATERIALS SCIENCE↗

Wafer Test Cavity - Linking Surface Microstructure to RF Performance: a ‘Short-­Sample Test Facility’ for characterizing superconducting materials for SRF cavities

The Wafer Test cavity was designed to create a short sample test system to determine the properties of the superconducting materials and S-I-S hetero-structures. The project, funded by ARRA, was successful in accomplishing several goals to achieving a high gradient test system for SRF research and development. The project led to the design and construction of the two unique cavities that each severed unique purposes: the Wafer test Cavity and the Sapphire Test cavity. The Sapphire Cavity was constructed first to determine the properties of large single crystal sapphires in an SRF environment. The data obtained from the cavity greatly altered the design of the Wafer Cavity and provided the necessary information to ascertain the Wafer Test cavity’s performance.

42 ENGINEERING↗