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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Light Water Reactor Sustainability Program Modeling of Cu Precipitate Contributions to Reactor Pressure Vessel Steel Microstructure Evolution and Embrittlement

This report summarizes the lower-length-scale effort during FY 2017 in developing simulation capabilities for the mesoscale: models for microstructure evolution and plasticity in reactor pressure vessel steels. During operation, reactor pressure vessels undergo hardening and embrittlement caused by irradiation induced defect accumulation and irradiation enhanced solute precipitation. Both defect production and solute precipitation initiate on the atomic scale and manifest their eventual effects as degradation in the engineering scale properties. To predict the engineering scale property degradation, multiscale modeling and simulation capabilities are needed to better understand the microstructure evolution and to connect the microstructure feature evolution to the engineering scale material properties. In this report the development of coupling across different length scale models to understand the multi-physics property dedgration problem is discussed. The development of coupling a lattice kinetic Monte Carlo code to cluster dynamics to capture irradiation enhanced diffusion in the formation of defects is summarized. The implementation of a cluster dynamics model with Grizzly to predict Cu percipitate formation is discussed. A summary of the coupling of crystal plasticity and cluster dynamics to predict the effect on reactor pressure steel hardening is given.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Python codes for the paper - "Trade-offs in the latent representation of microstructure evolution"

SAND2024-00946O Python codes used in "Trade-offs in the latent representation of microstructure evolution," a manuscript accepted for publication in Acta Materialia, are part of a repository. The code was developed to perform analysis of microstructure evolution. The repository consists of two main directories: models, which train and test models such as autoencoders and diffusion maps, and analysis, which analyzes microstructures. Source code is used to perform dimensionality reduction of microstructure data for analysis of its evolution in time. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Dingreville, Remi↗
DOE OSTI2018

Mechanical properties, deformation behavior and microstructure evolution of Ti-43Al-6Nb-1Mo-1Cr alloys

Highlights: • The alloys exhibit excellent high-temperature tensile properties. • Activation energy of deformation (Q) and n are 571 KJ/mol and 2.765, respectively. • The hot processing maps of strain 0.5 and 0.6 are displayed. • Phase transformations and microstructure evolution are explained in different conditions. • Three types of deformation mechanisms are exhibited at different temperature. - Abstract: The high-temperature properties, microstructure evolution and deformation behavior of a novel Ti-43Al-6Nb-1Mo-1Cr(at.%) alloy were studied in this paper. The ultimate tensile strength (UTS) and elongation (δ) were tested at 800, 850, and 900 °C, in which the excellent strength 551 MPa, 510 MPa, and 382 MPa, and elongation 2.9%, 12.7%, and 16.8% were exhibited, respectively. Isothermal compression tests were carried out in the temperature range of 1100–1250 °C and strain rate range of 0.001–1.0 s{sup − 1}. Based on dynamic materials model (DMM) and phase diagram, dynamic recrystallization mechanism and phase transformation during thermal deformation were clarified and the hot processing maps were calculated. The experimental results show that the values of stress exponent (n) and the apparent deformation activation energy (Q) of Ti-43Al-6Nb-1Mo-1Cr(at.%) were calculated to be 2.77 and 571 KJ/mol. Meanwhile, three various types of microstructure evolution in different deformation conditions were discussed and concluded.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A High-Speed Rotational Diamond Anvil Cell for In Situ Analysis of Hierarchical Microstructural Evolution of Metallic Alloys during Extreme Shear Deformation

High speed shear deformation is ubiquitous in engineering applications, ranging from material processing methods such as friction stir processing/extrusion and in tribological contacts. However, analyzing the microstructural evolution of materials while they are undergoing high speed shear deformation have been a long-standing challenge. This led to predominant reliance on ex situ microscopy before and after shear deformation. But ex situ microscopy lacks the ability to analyze dynamic and transient hierarchical microstructural evolution mechanisms that could occur during shear deformation of materials. Therefore, to better understand the dynamic mechanisms of mass and energy transfer in materials under shear deformation, we developed a first of its kind high-speed rotational diamond anvil cell (HS-RDAC) for synchrotron-based in situ high-energy x-ray diffraction (XRD). We studied the time resolved lattice strain evolution, XRD peak broadening and changes in spatial variation of shear deformation induced alloying in pure metal and metal alloy sheets and powder mixture using the HS-RDAC. These in situ results were combined with detailed ex situ microstructural characterization before and after the shear deformation using transmission electron microscopy and atom probe tomography, which revealed the different stages of evolution of a shear deformation induced hierarchical nanostructure. Multiscale computational simulations including computational fluid dynamics, crystal plasticity, molecular dynamic simulation and density functional theory uncovered the mechanisms behind morphological changes, evolution of defect structures and changes in driving force for shear deformation induced intermixing. In conclusion, this in situ HS-RDAC capability, in combination with ex situ microstructural characterization and computational simulations, can provide new insights into the hierarchical microstructural evolution pathway during shear deformation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Advanced processing of EBSD data to distinguish the complex microstructure evolution of a Cu-Ni-Si alloy induced by fatigue

Highlights: • Microstructure investigation of the fatigue behaviour of a Cu-Ni-Si alloy • Use of ECCI and EBSD to investigate the microstructure evolution related to fatigue dislocations structures • Characterisation of local plastic accommodation through EBSD misorientation criteria - Abstract: The present work aims at identifying the evolution of the microstructure of a Cu-Ni-Si (Corson alloy) alloy after low cycle fatigue by means of advanced electron microscopy analysis techniques (SEM-ECCI, Orientation Imaging Microscopy by means of SEM-EBSD and TEM). Deep attention is paid on the material subjected to high cyclic strains where a transient cellular dislocation structure transformed into precipitate free bands. It is shown that the formation of dislocation cells leads to a high GROD and high GOSaera value and its standard deviation. However, the presence of precipitate free bands results in the low GOSarea level and its low standard deviation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Elucidation of microstructural evolution of beta-type titanium alloy joint during friction stir welding using liquid CO2 cooling

Highlights: • Microstructural evolution during FSW was elucidated along real material flow line. • Stirring and cooling stages of FSW can be investigated separately using CO{sub 2} cooling. • In stirring stage, discontinuous dynamic recrystallization predominantly occurred. • In cooling stage, static recovery and grain growth mainly occurred. - Abstract: Normal friction stir welding (FSW) and liquid CO{sub 2} cooling FSW were conducted on the β-type Ti-15V-3Cr-3Al-3Sn (Ti-15-3, mass%) alloy plates under a processing condition. Since liquid CO{sub 2} cooling with high cooling efficiency can freeze the microstructure formed during the high-temperature stirring stage of FSW, it is possible to separately elucidate the microstructural evolution of the Ti-15-3 alloy during the high-temperature stirring stage and the post-stirring cooling stage in FSW. The deformation temperature during the normal and the CO{sub 2} cooling FSW was similar in the top and the bottom of stir zone, which is considered to be owing to that the top and bottom are located adjacent to the heat sources, i.e., the shoulder and probe surfaces. In the high-temperature stirring stage of FSW, discontinuous dynamic recrystallization predominantly occurred, and a simple shear texture generated in an early stage of the material flow around the tool, then the microstructure started to evolve steadily after a steady-state dynamic recrystallization. In the post-stirring cooling stage of FSW, static recovery and grain growth were found to mainly occur within the stir zone.

36 MATERIALS SCIENCE↗
DOE OSTI2020

MEUMAPPS (Microstructure Evolution Using Massively Parallel Phase-field Simulations)

The software “MEUMAPPS” is a h high-performance computing code used to simulate microstructure evolution associated with diffusional solid-state transformations in structural alloys. Understanding microstructure evolution during thermo-mechanical processing of structural alloys is the first step towards designing and processing alloys for specific applications by meeting property requirements demanded by the application. In this instance, the code is an important component in predicting processing-structure linkages during additive manufacturing of structural alloys as a function of processing parameters and alloy composition used in an additive manufacturing process. The code provides a detailed three-dimensional distribution of different types of phases / constituents and their morphologies, as well as the compositions of these phases that make up the microstructure. The microstructure is simulated by solving the governing partial differential equations using a Fourier Spectral Method.

Radhakrishnan, Balasubram↗
DOE OSTI2019

Effect of Electropulsing on Surface Mechanical Behavior and Microstructural Evolution of Inconel 718 during Ultrasonic Surface Rolling Process

In the current study, the surface mechanical behavior and microstructural evolution of Inconel 718 superalloy processed by the ultrasonic surface rolling process (USRP) and electropulsing-assisted ultrasonic surface rolling process (EP-USRP) were carefully analyzed. The experimental results suggested that after EP-USRP with a frequency of 400 Hz, significant enhancements in Vickers microhardness and nanoindentation hardness were achieved compared to those of USRP specimens, with increases of 13.6 and 9.9%, respectively. Moreover, the machined surface quality, wear resistance, and thermal stability were also improved after EP-USRP (400 Hz). These enhancements in mechanical behavior are closely related to the microstructural evolution induced by electropulsing. Under the coupling of thermal and athermal effects of high-energy electropulsing, the deformation limit of USRP is surpassed and a new balance is achieved between the electropulsing softening effect and the ultrasonic rolling hardening effect. Therefore, further grain refinement, improved plastic deformation ability in the strengthened layer, and the interaction effect between nano-sized precipitates and grain boundaries are probably the main reasons for these results.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Microstructural evolution in shear-punch tests: A comparative study of pure Cu and Cu-Cr alloy

Understanding the mechanisms behind microstructural evolution during shear deformation has been a long-standing area of interest. However, establishing a connection between microstructure, mechanical properties, and extent of shear deformation is challenging and requires refined experimental approaches. Shear-punch testing (SPT) provides a controlled method to introduce shear into small volumes of material that later can be subjected to detailed microstructural characterization. In this study, we utilize an SPT device to induce shear deformation to pure copper and a binary copper-chromium alloy. Electron backscatter diffraction and transmission electron microscopy were used to study the mechanisms of plastic deformation after SPT. Our results indicate that shear deformation of pure Cu produces a dense network of intercepting microshear bands upon sustained deformation. Twin boundaries undergo degradation into high angle grain boundaries due to simultaneous deviation from the axis-angle pair condition of 60° misorientation on [111] direction. The presence of 50% volume Cr particles in the soft Cu matrix fundamentally altered the shear deformation mechanism. Preferential deformation of the Cu matrix led to accelerated shear-induced formation of low and high angle grain boundaries, and subsequent grain refinement. Comparatively, no grain refinement occurred in pure Cu at a strain ~10 times larger (ϵ = 4.73) than that of the copper-chromium case (ϵ = 0.42). Overall, our study sheds light on the microstructural evolution during shear deformation and highlights the significant influence of particle reinforcements on the shear deformation mechanisms of metals.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Learning two-phase microstructure evolution using neural operators and autoencoder architectures

Abstract Phase-field modeling is an effective but computationally expensive method for capturing the mesoscale morphological and microstructure evolution in materials. Hence, fast and generalizable surrogate models are needed to alleviate the cost of computationally taxing processes such as in optimization and design of materials. The intrinsic discontinuous nature of the physical phenomena incurred by the presence of sharp phase boundaries makes the training of the surrogate model cumbersome. We develop a framework that integrates a convolutional autoencoder architecture with a deep neural operator (DeepONet) to learn the dynamic evolution of a two-phase mixture and accelerate time-to-solution in predicting the microstructure evolution. We utilize the convolutional autoencoder to provide a compact representation of the microstructure data in a low-dimensional latent space. After DeepONet is trained in the latent space, it can be used to replace the high-fidelity phase-field numerical solver in interpolation tasks or to accelerate the numerical solver in extrapolation tasks.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Understanding the microstructural evolution of hypersaline cemented paste backfill with low-field NMR relaxation

Highlights: • Microstructural evolution of CPB, prepared with tap and hypersaline water, is monitored using low-field NMR relaxometry. • T{sub 1} and T{sub 2} NMR relaxation measurements compared with mechanical strength via UCS tests • Hypersaline mixing water results in slower structural evolution and lower mechanical strength. Cemented paste backfill (CPB) comprising mineral tailings, binders and mixing water is an important potential support material in the mining industry. As the mechanical properties of CPB are significantly influenced by its microstructural characteristics the development of measurement tools to better understand its pore structure evolution is important for its increased utilisation. This study reports the application of low-field nuclear magnetic resonance (NMR) relaxation time measurements to characterise the microstructural evolution of CPB materials over 56 days of hydration, contrasting common tap water and hypersaline water (~22 wt% salt) as mixing water. Distinct NMR relaxation time populations were evidenced within each CPB sample, revealing the presence of both capillary (T{sub 1,2} ≈ 10 ms) and gel pore water (T{sub 1,2} ≈ 300–500 μs), with time-dependent relaxation measurements facilitating characterisation of capillary pore structure evolution over the hydration period assessed. Hypersaline samples demonstrated a time-lag in this measured capillary pore evolution, relative to those hydrated with tap water, while pore structure evolution rates were observed to increase with increased CPB binder content. Further, both T{sub 1} and T{sub 2} NMR relaxation times were found to correlate with the uniaxial compressive strength of the CPB materials investigated, facilitating the formulation of a predictive correlation function between NMR relaxation characteristics and mechanical properties.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Microstructural evolution of NARloy-Z at elevated temperatures

Microstructural evolution was studied in samples of wrought and vacuum plasma sprayed (VPS) NARloy-Z exposed to temperatures up to 970 C (1,780 F) for up to 60 h. Samples were heated in a vacuum furnace, followed by rapid quenching in helium (He) gas at a cooling rate of 166 C (300 F) per second. Microstructural analyses were conducted using optical microscopy, scanning electron microscopy (SEM), and electron probe microanalysis (EPMA). In both the wrought and VPS conditions, precipitates rich in silver (Ag) and zirconium (Zr) were present in the matrix and at the grain boundaries even after long exposure to elevated temperatures. Islands rich in oxygen (O2) and Zr were also observed, as well as incipient melting at the grain boundary triple points. Results indicated that the alloy cannot be homogenized by heat treatment at elevated temperatures.

Singh, J.↗
DOE OSTI2018

Microstructural Evolution and Mechanical Properties of Ti-22Al-25Nb (At.%) Orthorhombic Alloy with Three Typical Microstructures

Microstructural evolution, tensile and creep behavior of Ti-22Al-25Nb (at.%) orthorhombic alloy with three typical microstructures were investigated. The three typical microstructures were obtained by different solution and age treatment temperatures and analyzed by the BSE technique. The tensile strengths of the alloy at room temperature and 650 °C were investigated. The creep behaviors of the three typical microstructures were also studied at 650 °C/150 MPa for 100 h in air. The phase transformation mechanisms in creep deformation were also found. The experimental results showed that the formations of the three typical microstructures were decided by the isothermal forging and heat treatment. It was supposed that the high-temperature solution treatment might be dominant for the volume fraction and diameter of the equiaxed particles. While the double age treatment would lead to lamellar O phases. Due to grain refinement strengthening, the equiaxed microstructure presented the best tensile strength and ductility. The fully lamellar microstructure had the best creep resistance than that of other microstructures. In this paper, the phenomenon of creep-induced α{sub 2} phase decomposition was occurred during creep deformation of the equiaxed microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microstructure evolution in the conventional single side and bobbin tool friction stir welding of thick rolled 7085-T7452 aluminum alloy

Highlights: • Comparison of microstructure evolution via EBSD of SS-FSW and BB-FSW was investigated. • Friction heat, strain rate and degree of recrystallization affected grain size. • Discontinuously dynamic recrystallization occurred in the weld nugget zone. • The degree of recrystallization was mainly controlled by the strain rate. - Abstract: The microstructure evolution during the conventional single side friction stir welding (SS-FSW) and the bobbin tool FSW (BB-FSW) of 7085-T7452 alloy thick plate was extensively studied by using the state-of-the-art materials characterization techniques. The Electron backscattering diffraction results reveal that a significant grain refinement and a larger percentage of high angle grain boundaries (HAGBs) exist in the weld nugget zone (WNZ) and the thermal-mechanical affected zone (TMAZ) compared with the base material. Meanwhile, more obviously inhomogeneous refined grains and HAGBs in WNZ along the thickness direction and a larger percentage of low angle grain boundaries (LAGBs) were observed in SS-FSW joint than that in BB-FSW joint. The change of the average grain size is the result of friction heat and strain rate of plastic deformation combined with a certain degree of recrystallization. Moreover, the recrystallization is mainly controlled by the strain rate during the FSW process. The presence of Cube and Cube ND after welding shows that the discontinuously dynamic recrystallization (DDRX) is a major factor in the final microstructural response. The research and findings help the understanding of the mechanism of microstructure homogenization and further optimizing the welding process for application.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Anisotropic physics-regularized interpretable machine learning of microstructure evolution

Anisotropic Physics-Regularized Interpretable Machine Learning Microstructure Evolution (APRIMME) is a general-purpose machine learning solution for grain growth simulations. In prior work, PRIMME employed a deep neural network to predict site-specific migration as a function of its neighboring sites to model normal, isotropic, grain growth behavior. This work aims to extend this method by incorporating grain boundary misorientation-based grain growth behavior. APRIMME is trained on anisotropic simulations created using the Monte Carlo-Potts (MCP) model. Furthermore, the results of this work are compared statistically using grain radius, number of sides per grain, mean neighborhood misorientations, and the standard deviation of triple junction dihedral angles, and are found to match in most cases. The exceptions are small and seem to be related to two causes: (1) the deterministic model of APRIMME is learning from the stochastic simulations of MCP, which seems to accentuate triple junction behaviors; and, (2) a bias against very small grains is made evident in a quicker decrease in grains than expected at the beginning of an APRIMME simulation. APRIMME is also evaluated for its general ability to capture anisotropic grain growth behavior by first investigating different test case initial conditions, including a circle grain, three grain, and hexagonal grain microstructures.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Densification, Microstructural Evolution, Mechanical Properties and Oxidation Study of CrB{sub 2} + EuB{sub 6} Composite

This paper reports the results of investigation on densification, microstructural evolution, mechanical properties and oxidation study of CrB{sub 2} + EuB{sub 6} composite. CrB{sub 2} + EuB{sub 6} (10 and 20 wt.%) composites have been fabricated by hot pressing at a temperature of 1700 °C and 35 MPa pressure. The hardness and flexural strength were measured in the range of 21.25-24.48 GPa and 171-199 MPa, respectively. The fracture toughness increased from 3.3 to 4.01 MPa m{sup 1/2} by the addition of 20% EuB{sub 6}. Microstructural evolution revealed the uniform distribution of EuB{sub 6} and absence of any reaction product. Fracture surface analysis confirmed the presence of transgranular mode of fracture. Oxidation study at 1200 °C revealed that the developed composites have good oxidation resistance and followed the parabolic rate of oxidation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microstructure evolution of wrought nickel based superalloy GH4037 in the semi-solid state

Highlights: • Semi-solid isothermal treatment of wrought superalloy (SSITWS). • Near-globular microstructure. • Carbide precipitates. - Abstract: Study on semi-solid processing of superalloy is little reported due to the difficulties in fabricating semi-solid billets. In this manuscript, a novel method called semi-solid isothermal treatment of wrought superalloy (SSITWS) was firstly proposed in order to fabricate semi-solid billets of superalloy. The effects of isothermal temperature and soaking time on microstructure of Ni-based superalloy GH4037 in the semi-solid state were investigated. The results show that the near-globular microstructure of wrought GH4037 superalloy can be obtained by the semi-solid isothermal treatment. The average grain size increased and the roundness decreased with the prolonged soaking time at 1350 °C and 1360 °C. When the isothermal temperature was elevated to 1370 °C or 1380 °C, the microstructure evolution was complex due to the combination of breaking up mechanism and coarsening mechanism. At 1390 °C, the dendritic grains were obviously observed in the microstructure. With the increasing of isothermal temperature and soaking time, the liquid boundary film coarsening behavior occurred in the microstructure. With the increasing of soaking time, the size of intragranular liquid droplets increased, but the amount of them decreased. When the isothermal temperature was high, the intragranular liquid droplets disappeared. The coarsening rate constant at 1360 °C was lower compared to that at 1350 °C. However, when the isothermal temperature was higher than 1370 °C, the coarsening kinetics was not suitable for describing the microstructure evolution. The discrete carbide precipitates appeared in the grain boundaries. The distribution of Ti and Mo were higher in the grain boundaries than that in solid grains, and the distribution of other elements was homogenous in the grain boundaries and inside the grains.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Microstructural Evolution and Properties of 24CrNiMoY Alloy Steel Fabricated by Selective Laser Melting

24CrNiMoY alloy steel samples were fabricated by selective laser melting (SLM), and a phase transformation model was established to study the alloy steel microstructural evolution. Meanwhile, microhardness and tensile properties of 24CrNiMoY alloy steel prepared by different laser energy densities (E{sub v}) were investigated. Results indicate that the microstructural evolution of 24CrNiMoY alloy steel is consistent with the phase transformation model. The main microstructure changed from martensite to bainite with the increase in thermal cycle numbers. In addition, a suitable E{sub v} plays an important role in refining the bainite structure and improving the alloy steel properties. When the E{sub v} decreases from 210 to 140 J/mm{sup 3}, the bainite lath width reduces from 1.7 to 0.6 μm. Simultaneously, the relative density, tensile strength and microhardness of the fabricated samples increase first and decrease later. 24CrNiMoY alloy steel sample prepared by 160 J/mm{sup 3} has fine mechanical properties: The tensile strength is 850 MPa and microhardness is 360 HV{sub 0.2}.

36 MATERIALS SCIENCE↗