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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 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

L2 Milestone 5433: Characterization of Dynamic Behavior of AM and Conventionally Processed Stainless Steel (316L and 304L)

For additive manufacturing (AM) of metallic materials, the certification and qualification paradigm needs to evolve as there currently exists no broadly accepted “ASTM- or DIN-type” additive manufacturing certified process or AM-material produced specifications. Accordingly, design, manufacture, and thereafter implementation and insertion of AM materials to meet engineering applications requires detailed quantification of the constitutive (strength and damage) properties of these evolving materials, across the spectrum of metallic AM methods, in comparison/contrast to conventionally-manufactured metals and alloys. This report summarizes the 316L SS research results and presents initial results of the follow-on study of 304L SS. For the AM-316L SS investigation, cylindrical samples of 316L SS were produced using a LENS MR-7 laser additive manufacturing system from Optomec (Albuquerque, NM) equipped with a 1kW Yb-fiber laser. The microstructure of the AM-316L SS was characterized in both the “as-built” Additively Manufactured state and following a heat-treatment designed to obtain full recrystallization to facilitate comparison with annealed wrought 316L SS. The dynamic shock-loading-induced damage evolution and failure response of all three 316L SS materials was quantified using flyer-plate impact driven spallation experiments at peak stresses of 4.5 and 6.35 GPa. The results of these studies are reported in detail in the first section of the report. Publication of the 316L SS results in an archival journal is planned. Following on from the 316L SS completed work, initial results on a study of AM 304L SS are in progress and presented herein. Preliminary results on the structure/dynamic spallation property behavior of AM-304L SS fabricated using both the directed-energy LENS and an EOS powder-bed AM techniques in comparison to wrought 304L SS is detailed in this Level 2 Milestone report.

316L SS↗
DOE OSTI2019

Evolution of the mechanical properties of a cobalt-based alloy under thermal shocks

A cobalt-base alloy manufactured by hot isostatic pressing sintering (HIP) was investigated in the present work. A series of quenching thermal-shock experiments were carried out to study the effects of thermal-cycle shocks on this new cobalt-based alloy. Scanning Electron Microscope (SEM) and Energy Dispersion Spectrum (EDS) were employed to observe the evolution of microstructures under thermal-shock cycles. Results show that some floccus Co 3 W 3 C precipitated around the WC particles after several thermal-shock cycles. These precipitates and the carbide particles correspond to the locations with the high-stress concentration. The mechanical properties evolution under thermal-shock cycles was analyzed by Nanoindentation tests. The nanohardness presents no noticeable change with thermal-shock cycles. However, the reduced modulus demonstrates a decreasing trend with the thermal-shock cycles. The variation of the mechanical properties has an unestimated relationship with the residual stress and densities of dislocations caused by thermal shocks. Furthermore, the present work pointed out that the precipitates around the carbides are the places where the thermal fatigue crack initiated. How to deal with the precipitates will be the optimized way for this material.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Advanced Characterization of Irradiated Fuels and Materials at INL

Advanced characterization of the irradiated fuels and materials is crucial to help understanding the material and fuel property changes under irradiation. Microstructural defect evolution down to nanometer scale could strongly affect the material and fuel performance on macroscale. Radiation-induced material degradation include dimensional instability, hardening and embrittlement, intergranular cracking, radiation-enhanced chemical interaction at the interfaces and breakaway swelling. To mitigate the radiation damage, advanced characterization on irradiated microstructure, microchemistry, micromechanical property and local thermal property is necessary to identify the controlling mechanisms that are responsible to the degradations. This presentation provides a summary of the advanced characterization capabilities at the Irradiation Materials Characterization Laboratory (IMCL), Materials and Fuels Complex (MFC), Idaho National Laboratory (INL). It highlights the recently established capabilities including shield sample preparation area (SSPA), shield confinement cells for two focused ion beam (FIB) systems, a shielded electron probe microanalysis (EPMA), the thermal property microscopy (TPM) along with non-shielded instruments like scanning electron microscopy (SEM), X-ray diffractometer, and transmission electron microscopy (TEM). Some examples on advanced characterizations on irradiated structural materials and fuels will be presented. It demonstrates the power of combining sample preparation of highly radioactive materials with the advanced characterization down to atomic resolutions within one facility.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Defect cluster and nonequilibrium gas bubble associated growth in irradiated UMo fuels – a cluster dynamics and phase field model

Irradiation examination shows that gas bubble swelling kinetics is much faster after irradiation-induced recrystallization than that prior recrystallization in UMo fuels. It implies that gas bubbles in coarse grains and small recrystallized grains have different growth behavior. In this work, a phase-field model of gas bubble evolution integrating microstructure dependent cluster dynamics has been developed, for the first time, to study the gas bubble swelling behavior in the recrystallization zone of UMo fuels. Generation, diffusion, reaction, sink, emission and clustering of vacancies and interstitials are described by the cluster dynamics model while a phase-field model is used to describe the evolution of non-equilibrium gas bubbles including nucleation and growth. With the coupled model, the effect of defect generation rate, clustering rate, interstitial emission and sink rates on grain boundaries on the gas bubble evolution are systematically simulated. A set of model parameters (defect generation rate, clustering rate, interstitial emission and sink rates) is determined by comparing measured and simulated gas bubble swelling kinetics. The results demonstrate that interstitial clustering is one of the important physical mechanisms which results in a fast gas bubble swelling kinetics in the recrystallization zone. The developed model can also be extended to study the associated growth of defect and second phase precipitates often observed in irradiated materials.

Hu, Shenyang↗
DOE OSTI2019

Influence of Thermal Treatment on the Microstructure, Mechanical Properties, and Corrosion Resistance of Newly Developed Ti20Nb13Zr Biomedical Alloy in a Simulated Body Environment

The effect of thermal treatments on the microstructure, hardness, and electrochemical performance in a simulated body fluid were studied for the newly developed (β + α) Ti20Nb13Zr alloy (TNZ) for biomedical applications. The alloy was heat-treated for 1 h at 900 °C and then cooled at different cooling rates. Then, the solution-treated samples were aged at 400, 500, or 600 °C for 5 h. The phase evolution and microstructure of the treated alloy were examined using XRD and SEM/EDX analysis. The mechanical properties were assessed using microindentation. The surface protection performance against corrosion was assessed by potentiodynamic polarization and electrochemical impedance spectroscopic analysis. The obtained results showed that the wide range of microstructure with varied volume fraction and morphology of β and α were obtained with different heat treatment conditions. The different phases’ sizes and distributions influenced the microstructure obtained during the heat treatment, thereby affecting the mechanical properties. The corrosion performance significantly altered with variations in the microstructure of the TNZ alloy as a result of the different thermal treatments. The heat treatment of TNZ conferred enhanced combination of mechanical and corrosion protection compared to that of the commercial Ti6Al4V alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Mechanistic materials modeling for nuclear fuel performance

Fuel performance codes are critical tools for the design, certification, and safety analysis of nuclear reactors. However, their ability to predict fuel behavior under abnormal conditions is severely limited by their considerable reliance on empirical materials models correlated to burn-up (a measure of the number of fission events that have occurred, but not a unique measure of the history of the material). In this paper, we propose a different paradigm for fuel performance codes to employ mechanistic materials models that are based on the current state of the evolving microstructure rather than burn-up. In this approach, a series of state variables are stored at material points and define the current state of the microstructure. The evolution of these state variables is defined by mechanistic models that are functions of fuel conditions and other state variables. The material properties of the fuel and cladding are determined from microstructure/property relationships that are functions of the state variables and the current fuel conditions. Multiscale modeling and simulation is being used in conjunction with experimental data to inform the development of these models. Finally, this mechanistic, microstructure-based approach has the potential to provide a more predictive fuel performance capability, but will require a team of researchers to complete the required development and to validate the approach.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Effect of Zn on microstructure, texture and mechanical properties of Al-Mg-Si-Cu alloys with a medium number of Fe-rich phase particles

Highlights: • Zn has a negligible influence on the final recrystallization microstructure and texture of Al-Mg-Si-Cu alloys. • By adding Fe-rich phase particles to refine the recrystallization grain sizes could control the texture. • The deep drawability of Al-Mg-Si-Cu alloys could be affected by solute Zn atom besides the microstructure and texture. - Abstract: The effect of Zn on the microstructure, texture evolution and mechanical properties of Al-Mg-Si-Cu alloys with a medium number of Fe-rich phase particles was investigated using tensile testing machine, optical microscopy (OM), scanning electron microscope (SEM), transmission electron microscope (TEM) and X-ray diffractometer (XRD) in the present study. The results show that Zn addition has a significant influence on the final mechanical properties, but a slight effect on microstructure and final recrystallization texture. Zn addition is favorable to increase yield strength, ultimate tensile strength and elongation, however it is detrimental to improve r value and reduce Δr value. During the thermomechanical processing, the microstructure almost has nothing to do with Zn addition. However, Zn could prevent the secondary phase particles from precipitating during intermediate annealing. In contrast to the alloy sheet without Zn, the alloy sheet with 1.0 wt% Zn always has weaker textures before final cold rolling, but a stronger texture after experiencing final cold rolling. After solution treatment, they almost possess the same recrystallization texture. Finally, the effect of Zn addition on the recrystallization texture was discussed. Their similar recrystallization texture can be attributed to the similar microstructure, which was caused by the medium number of Fe-rich phase particles.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Computational and Experimental Studies of Microstructure-Scale Porosity in Metallic Fuels for Improved Gas Swelling Behavior

This proposal will investigate the stability of bimodal pore size distributions in metallic uranium and uranium-zirconium alloys during sintering and re-sintering annealing treatments. The project will utilize both computational and experimental approaches. The computational approach includes both Molecular Dynamics simulations to determine the self-diffusion coefficients in pure U and U-Zr alloys in single crystals, grain boundaries, and free surfaces, as well as calculations of grain boundary and free surface interfacial energies. Phase-field simulations using MOOSE will be conducted to study pore and grain structure evolution in microstructures with bimodal pore size distributions. Experiments will also be performed to validate the simulations, and measure the time-dependent densification of bimodal porous compacts.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Phase transformation kinetics model for metals

We develop a new model for phase transformation kinetics in metals by generalizing the Levitas–Preston (LP) phase field model of martensite phase transformations (see Levitas and Preston (2002a,b) and Levitas et al. (2003)) to arbitrary pressure. Furthermore, we account for and track: the interface speed of the pressure-driven phase transformation, properties of critical nuclei, as well as nucleation at grain sites and on dislocations and homogeneous nucleation. The volume fraction evolution of each phase is described by employing KJMA (Kolmogorov, 1937; Johnson and Mehl, 1939; Avrami, 1939, 1940, 1941) kinetic theory. We then test our new model for iron under ramp loading conditions and compare our predictions for the α → ϵ iron phase transition to experimental data of Smith et al. (2013). In conclusion, more than one combination of material and model parameters (such as dislocation density and interface speed) led to good agreement of our simulations to the experimental data, thus highlighting the importance of having accurate microstructure data for the sample under consideration.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Development of a Laser Ultrasonics-based Approach for Rapid Screening of High Entropy Alloys

This project utilized a laser ultrasonic technique to systematically study temperature-induced evolution of material properties in a set of interrelated binary alloys and a high entropy alloy (HEA) fabricated using arc-melting and spark plasma sintering processes. This technique involved the use of a nanosecond duration, high-intensity pulsed laser to thermo-elastically generate ultrasonic waves that propagate in the bulk of the metal alloy. Sub-nanometer-scale displacements associated with the propagating bulk ultrasonic waves were detected along the epicenter on the opposite surface of the sample using a 1 GHz bandwidth photorefractive interferometer. Phase transformations and microstructural changes were inferred from the temperature-dependent trends in the bulk acoustic velocities and features in the ultrasonic epicentral waveforms measured in the binary alloys. These inferences were then correlated with electron/optical microscopy observations and predictions using calculations of phase diagrams (CALPHAD). The results showed that the laser-generated ultrasonic pulses were strongly influenced by changes in material microstructure and could accurately track thermally driven phase transformations and detect the presence of microscale heterogeneities (grain boundaries, dendritic structures, etc.) in the set of binary alloy samples. The measurement approach was then applied to a quinary HEA sample for estimating phase transition temperature and determining microstructural heterogeneity. The rapid, non-contact and non-destructive ultrasonic testing approach demonstrated here is amenable to high throughput combinatorial investigations that can be applied to graded composition HEAs produced using advanced manufacturing methods. When paired with atomistic simulations and CALPHAD modeling, this approach can overcome the bottlenecks faced by current material characterization methods in efficiently screening the vast discovery space of HEAs that spans over a hundred million unique quinary alloy compositions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Kinetic Monte Carlo simulations of structural evolution during anneal of additively manufactured materials

Our experiments indicated that upon a post-processing anneal, an additively manufactured 316L stainless steel exhibits cubic grains rather than the conventional equiaxed grains. In this work, we have used kinetic Monte Carlo simulations to explore the origin of these cubic grains. First, we implemented a new kinetic Monte Carlo model in parallel code SPPARKS to simulate grain growth and recrystallization under a residual energy distribution. Our model incorporates physical properties and real-time, as opposed to generic properties and relative time. We further validated that our SPPARKS simulations reproduced the expected kinetic behavior of single-grain evolution. We then used the validated approach to simulate the anneal of an additively manufactured material under the same conditions used in our experiments. We found that the cubic grains can origin from a periodically varying residual energy that may be present in additively manufactured materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A review of the shear rheology of carbon black suspensions

The microstructural link to the rheology of carbon black suspensions has recently become clear as a result of advances in computational and experimental methods. This understanding reveals the important role of the restructuring, build-up, and break-up of carbon black agglomerates in simple shear, rationalized by a dimensionless balance of the hydrodynamic forces acting to break the agglomerates apart against the cohesive forces holding them together (i.e., the Mason number). The Mason number not only can predict the origin of reversible thixotropy seen in carbon black suspensions observed at higher shear intensities, but can also be used to rationalize the evolution of microstructure at lower shear intensities. This review focuses on carbon black suspension behavior, but the insights derived from carbon black suspensions are broadly applicable to a diverse class of soft matter including colloidal gels relevant to a variety of applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Physicochemical evolution of uranium nitride kernel microstructure with varying carbon distribution for advanced TRISO fuel forms

Uranium nitride (UN) has emerged as a fuel candidate for advanced nuclear reactor concepts due to its superior uranium density, thermal conductivity, and high melting temperature. However, the fabrication route for converting UO 2 to UN is complex and difficult to standardize. Although the chemistry of this conversion process is well-studied, more insight into the physicochemical dynamics of this conversion using advanced characterization techniques can help further our understanding of this material system. This work leveraged thermogravimetric analysis (TGA), X-ray diffraction (XRD), and nondestructive 3D X-ray computed tomography (XCT) to characterize dynamic microstructural changes in the UO 2 → UCO → UN fabrication pathway for two kernels with a varying carbon distribution in the starting composition. TGA and XRD were used to quantify changes in the mass, density, and chemical composition of the two kernels, while three-dimensional image processing and segmentation of XCT data were used to quantify the volume, surface area, and spatial distribution of features within each kernel for multiple steps along the fabrication pathway. The analysis indicates distinct differences between the two kernels that are correlated to downstream conversion efficiency. In conclusion, this work is among the first to perform 3D quantification of physicochemical evolution during UN conversion, providing quantitative correlation between processing, properties, and expected fuel performance.

Nuclear fuel↗
DOE OSTI2025

Directed energy deposition of radially functionally graded nickel based superalloys IN625 and IN738: Microstructure and mechanical properties

This study investigates the microstructure and mechanical properties of radially functionally graded (RFG) materials fabricated from nickel-based superalloys IN625 and IN738 using directed energy deposition (DED). RFG cylindrical deposits with radial gradients of IN625-IN738 and IN738-IN625 were successfully fabricated and confirmed to be crack-free through tailored composition grading, scan strategy and process parameters that minimized thermal gradients and solidification velocities. Microstructural analysis revealed distinct variations across the gradient, characterized by differences in dendrite arm spacing, microsegregation, and the formation of distinct γ' precipitates and carbide/boride phases (MC, M 6 C, M 2 C, and MB 2 ) in as-deposited (AD) conditions, which evolved into M 23 C 6 and M 2 B upon subsequent heat treatment (HT). EBSD showed predominant columnar grains with a [100] texture, while microhardness profiles demonstrated consistent variation across the gradients. Mechanical testing highlighted the synergy of the graded structure, combining IN738's strength with IN625's ductility, resulting in enhanced properties such as a yield strength of 1131 MPa, ultimate tensile strength of 1382 MPa, and elongation of 12 % for HT IN625-IN738 grading. Numerical simulations employing CALPHAD thermodynamic calculations and finite element thermal modeling are used to establish phase evolution and microstructural feature correlation with thermal profiles, aiding in the optimization of process-structure-property relationship.

Additive manufacturing↗
DOE OSTI2018

Strengthening mechanisms in directed energy deposited austenitic stainless steel

Microstructures and mechanical properties are evaluated in austenitic stainless steel structures fabricated by directed energy deposition (DED) considering the effects of applied loading orientation, build geometry, and distance from the deposition baseplate. Locations within an as-deposited build with different thermomechanical history display different yield strength, while those locations with similar history have approximately the same yield strength, regardless of test specimen orientation. Thermal expansion of deposited material near the baseplate is inhibited by the mechanical constraint imposed by the baseplate, promoting plastic deformation and producing a high density of dislocations. Concurrently, high initial cooling rates decrease away from the baseplate as the build is heated, causing an increased spacing of cellular solidification features. An analysis of strengthening mechanisms quantitatively established for the first time the important strengthening contribution of high dislocation densities in the materials (166–191 MPa) to yield strength that ranged from 438 to 553 MPa in the present DED fabricated structures. A newly adopted mechanistic relationship for microsegregation strengthening from the literature indicated an additional important contribution to strengthening (123–135 MPa) due to the cellular solidification features. These findings are corroborated by the measured evolution of microstructure and hardness caused by annealing the DED material. Finally, these results suggest that the mechanical properties of deposited austenitic stainless steels can be influenced by controlling thermomechanical history during the manufacturing process to alter the character of compositional microsegregation and the amount of induced plastic deformation.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Structural evolution of low-temperature liquid GaIn eutectic alloy

Structural changes of liquid Galn eutectic alloy upon cooling from about 373 K to 242 K are studied by using in situ synchrotron radiation X-ray diffraction (XRD) combined with the ab initio molecular dynamics simulations (AIMD). The experimental and theoretical results show that no abnormal structural change is observed in the supercooled liquid region prior to crystallization. The XRD data exhibit that the liquid can crystallize into a mixture of orthorhombic Ga-I and body-centered tetragonal (bct)-In phases. Also, the AIMD calculations simulate the solidification process, forming a bct-like structure locally similar to bct-Ga-III and bct-In phases. The aggregation of In atoms forms In-rich zones, acting as the processor of crystallization. Our results provide an in-depth understanding of liquid Galn alloys and will trigger more interests to other metallic liquids. (C) 2019 Elsevier B.V. All rights reserved.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Niobium hydride formation in superconducting qubit thin films

The formation of nonsuperconducting hydrides in 160–170-nm-thick films of niobium is examined. We identify six elastically distinct orientation relationships ɛ−Nb 4 ⁢H 3 takes within the matrix, solid-solution 𝛼−NbH 𝑥 phase. We employ a phase field model to assess the impact of elastic energy induced by the strain of phase transformation on the morphology and transformation dynamics of ɛ precipitates within a thin film. We consider the dimensions of the thin film, crystallographic growth direction, and diffusion rates to predict the timescale of hydride evolution. Leveraging the finite element method, we predict two-dimensional and three-dimensional equilibrium shapes of ɛ-hydrides within a bulk sample and in a thin film that has a traction-free surface. Our results suggest that niobium hydrides migrate to the free surface of the film. Precipitates which reach the free surface coarsen, while precipitates within the film dissolve. Precipitates in both two dimensions and three dimensions experience a repulsive interaction force at the free surface, that is attractive in the bulk, shown in experiment and theory of previous studies.

36 - MATERIALS SCIENCE↗
DOE OSTI2018

Report on Aging and Irradiation Theoretical Model Development for Alloy 690 in Grizzly

This report describes the current efforts to implement a model to predict the engineering scale behavior of irradiated and aged Ni 2 Cr model alloy and Alloy 690 into the Grizzly software. Grizzly is a multiphysics simulation code under development at Idaho National Laboratory to simulate aging mechanisms and their effects on the integrity of critical LWR components. Engineering scale behavior of materials are strongly impacted by the underlying microstructure: the distribution and interaction of dislocations and defects within the individual grains dictates how the material will respond to loading. The evolution of these dislocations and defects determines how the engineering scale material will perform under different loading and environmental conditions. Mesoscale models can function as a bridge to connect microstructure evolution models to engineering models of the ductile-brittle transition temperature (DBTT) curve and fracture. The toughness of a material, which governs the engineering scale fracture behavior, is a function of both elastic deformation and plastic deformation. While the yield stress measurements capture the elastic contribution to a material’s toughness, information about the dislocation movement is required to understand the plastic component of toughness. Crystal plasticity models predict dislocation density evolution and thereby connect microstructure evolution to engineering scale behavior predictions. These models calculate the plastic strain within a metal as a function of dislocations and other crystal defects, including precipitates and interstitial loops, among others, by tracking dislocation movement and the interaction of these dislocations with the crystal defects. Within NiCr alloys, long-range ordered (LRO) precipitates form under aging conditions. These precipitates act as barriers to dislocation motion and are either sheared by dislocations or pin dislocations. Additional defects, such as stacking fault tetrahedra (SFTs) from irradiation damage, also impede dislocation motion in these alloys. A crystal plasticity mode for Ni 2 Cr model alloy and Alloy 690 is being currently implemented in the Grizzly code at INL. This report includes a description of the theoretical models incorporated into the Grizzly crystal plasticity code. These theoretical models include mechanisms for dislocation glade and twinning as well as dislocation-defect interaction relationship for both LRO precipitates and SFTs. We have selected these dislocation models based on the deformation mechanisms observed in experimental micropillar compression tests conducted on the Ni 2 Cr model alloy. The models are then extended to Alloy 690 with ongoing parameter fitting.

36 MATERIALS SCIENCE↗