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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 OSTI2015

Monitoring microstructural evolution in irradiated steel with second harmonic generation

Material damage in structural components is driven by microstructural evolution that occurs at low length scales and begins early in component life. In metals, these microstructural features are known to cause measurable changes in the acoustic nonlinearity parameter. Physically, the interaction of a monochromatic ultrasonic wave with microstructural features such as dislocations, precipitates, and vacancies, generates a second harmonic wave that is proportional to the acoustic nonlinearity parameter. These nonlinear ultrasonic techniques thus have the capability to evaluate initial material damage, particularly before crack initiation and propagation occur. This paper discusses how the nonlinear ultrasonic technique of second harmonic generation can be used as a nondestructive evaluation tool to monitor microstructural changes in steel, focusing on characterizing neutron radiation embrittlement in nuclear reactor pressure vessel steels. Current experimental evidence and analytical models linking microstructural evolution with changes in the acoustic nonlinearity parameter are summarized.

36 MATERIALS SCIENCE↗
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 OSTI2013

OBJECT KINETIC MONTE CARLO SIMULATIONS OF MICROSTRUCTURE EVOLUTION

The objective is to report the development of the flexible object kinetic Monte Carlo (OKMC) simulation code KSOME (kinetic simulation of microstructure evolution) which can be used to simulate microstructure evolution of complex systems under irradiation. In this report we briefly describe the capabilities of KSOME and present preliminary results for short term annealing of single cascades in tungsten at various primary-knock-on atom (PKA) energies and temperatures.

Nandipati, Giridhar↗
DOE OSTI2016

Microstructural evolution of Q12{sup TM} alloy irradiated in PWRs and comparison with other Zr base alloys - 2016-0061

Based on the M5{sup R}* alloy metallurgy, the Q12{sup TM} alloy (Zr-1Nb-0.5Sn-0.1Fe) was developed by AREVA NP for structural components, with ultra-low tin addition and slightly increased iron content. The behavior of this alloy was tested under irradiation in a pressurized water reactor (PWR) and has shown improvement in irradiation creep strength and similar free growth compared with M5. This paper provides results on dimensional stability and details the microstructural evolution of the Q12 alloy under neutron irradiation in PWRs. The Q12 microstructural evolution under irradiation was studied for fast neutron fluences up to 13 X 10{sup 25} n/m{sup 2} (E>1 MeV) with analytical transmission electron microscopy observations. We focused on radiation-enhanced needle-like particles, Laves phases, and the linear density of -component loops. These results are compared with other quaternary zirconium-niobium-tin-iron alloys and with M5. All these results allow a general discussion about microstructural evolution and behavior under irradiation of quaternary-type alloys compared to M5 alloy. This study, in agreement with previous works on Zr-1Nb and quaternary alloys, seems to show that increasing the iron content with the presence of niobium and tin will decrease the -component loop linear density and delay the growth breakaway. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2014

The microstructural evolution of ultrananocrystalline diamond films due to P ion implantation process—the annealing effect

The microstructural evolution of UNCD films which are P-ion implanted and annealed at 600 °C (or 800 °C) is systematically investigated. The difference of interaction that the UNCD content undergoes along the trajectory of the incident P-ions is reflected in the alteration of the granular structure. In regions where the P-ions reside, the “interacting zone,” which is found at about 300 nm beneath the surface of the films, coalescence of diamond grains occurs inducing nano-graphitic clusters. The annealing at 600 °C (or 800 °C) heals the defects and, in some cases, forms interconnected graphitic filaments that result in the decrease in surface resistance. However, the annealing at 600 °C (800 °C) induces marked UNCD-to-Si layers interaction. This interaction due to the annealing processes hinders the electron transport across the interface and degrades the electron field emission properties of the UNCD films. These microstructural evolution processes very well account for the phenomenon elaborating that, in spite of enhanced conductivity of the UNCD films along the film's surface due to the P-ion implantation and annealing processes, the electron field emission properties for these UNCD films do not improve.

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 OSTI2016

Characterization of microstructure in hydrogen ion irradiated vanadium at room temperature and the microstructural evolution during post-irradiation annealing

The microstructure of pure vanadium after hydrogen ion irradiation at room temperature to a fluence of 1 × 10{sup 17} ions/cm{sup 2} (and 5 × 10{sup 16} ions/cm{sup 2}) was investigated by transmission electron microscopy (TEM). Small dislocation loops (black spots) and cavities are formed after the irradiation. The nature and Burgers vector of dislocation loops formed in vanadium was characterized using g·b technique and inside–outside method. Interstitial dislocation loops with Burgers vector of 1/2 < 111 > predominantly formed with less than 10% of 1/2 < 110 > type. No < 100 > type or vacancy type dislocation loop formed. The microstructural evolution during the annealing process was also studied. Density and size of dislocation loops changed sharply when the annealing temperature was lifted up to 450 °C. When the annealing temperature was higher than 500 °C, bubble coalescence occurred with some large hydrogen bubbles formed. - Highlights: • Interstitial dislocation loops with Burgers vector of 1/2<111> were predominant. • Less than 10% of 1/2<110> dislocation loops were present in pure vanadium. • No <100> or vacancy type loops were present in pure vanadium. • Density and size of dislocation loops changed sharply at temperature above 450 °C. • Bubble coalescence occurred when annealing temperature was higher than 500 °C.

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 OSTI2014

Monitoring microstructural evolution of alloy 617 with non-linear acoustics for remaining useful life prediction; multiaxial creep-fatigue and creep-ratcheting

The research built upon a prior investigation to develop a unified constitutive model for design-­by-­analysis of the intermediate heat exchanger (IHX) for a very high temperature reactor (VHTR) design of next generation nuclear plants (NGNPs). Model development requires a set of failure data from complex mechanical experiments to characterize the material behavior. Therefore uniaxial and multiaxial creep-­fatigue and creep-­ratcheting tests were conducted on the nickel-­base Alloy 617 at 850 and 950°C. The time dependence of material behavior, and the interaction of time dependent behavior (e.g., creep) with ratcheting, which is an increase in the cyclic mean strain under load-­controlled cycling, are major concerns for NGNP design. This research project aimed at characterizing the microstructure evolution mechanisms activated in Alloy 617 by mechanical loading and dwell times at elevated temperature. The acoustic harmonic generation method was researched for microstructural characterization. It is a nonlinear acoustics method with excellent potential for nondestructive evaluation, and even online continuous monitoring once high temperature sensors become available. It is unique because it has the ability to quantitatively characterize microstructural features well before macroscale defects (e.g., cracks) form. The nonlinear acoustics beta parameter was shown to correlate with microstructural evolution using a systematic approach to handle the complexity of multiaxial creep-­fatigue and creep-­ratcheting deformation. Mechanical testing was conducted to provide a full spectrum of data for: thermal aging, tensile creep, uniaxial fatigue, uniaxial creep-­fatigue, uniaxial creep-ratcheting, multiaxial creep-fatigue, and multiaxial creep-­ratcheting. Transmission Electron Microscopy (TEM), Scanning Electron Microscopy (SEM), and Optical Microscopy were conducted to correlate the beta parameter with individual microstructure mechanisms. We researched application of the harmonic generation method to tubular mechanical test specimens and pipes for nondestructive evaluation. Tubular specimens and pipes act as waveguides, thus we applied the acoustic harmonic generation method to guided waves in both plates and shells. Magnetostrictive transducers were used to generate and receive guided wave modes in the shell sample and the received signals were processed to show the sensitivity of higher harmonic generation to microstructure evolution. Modeling was initiated to correlate higher harmonic generation with the microstructure that will lead to development of a life prediction model that is informed by the nonlinear acoustics measurements.

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 OSTI2015

Microstructural evolution of a uranium-10 wt.% molybdenum alloy for nuclear reactor fuels

Low-enriched uranium-10 wt.% molybdenum (LEU-10wt.%Mo) is of interest for the fabrication of monolithic fuels to replace highly-enriched uranium (HEU) dispersion fuels in high performance research and test reactors around the world. In this work, depleted uranium-10wt.%Mo (DU- 10wt.%Mo) is used to simulate the solidification and microstructural evolution of LEU- 10wt.%Mo. Electron backscatter diffraction (EBSD) and complementary electron probe microanalysis (EPMA) reveal significant microsegregation present in the metastable γ-phase after solidification. Homogenization is performed at 800 and 1000 °C for times ranging from 1 to 32 h to explore the time-temperature combinations that will reduce the extent of microsegregation, as regions of higher and lower Mo content may influence local mechanical properties and provide preferred regions for γ-phase decomposition. We show for the first time that EBSD can be used to qualitatively assess microstructural evolution in DU-10wt.%Mo after homogenization treatments. Complementary EPMA is used to quantitatively confirm this finding. Homogenization at 1000 °C for 2 to 4 h reduces the regions that contain 8 wt.% Mo or lower, whereas homogenization at 1000 °C for longer than 8 h effectively saturates Mo chemical homogeneity, but results in substantial grain growth. The appropriate homogenization time will depend upon additional microstructural considerations, such as grain growth and intended subsequent processing. Higher carbon LEU-10wt.%Mo generally contains more inclusions within the grains and at grain boundaries after solidification. The effect of these inclusions on microstructural evolution (e.g. grain growth) during homogenization and as potential γ-phase decomposition nucleation sites is unclear, but likely requires additional study.

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 OSTI2014

Microstructure evolution in Xe-irradiated UO2 at room temperature

In situ Transmission Electron Microscopy was conducted for single crystal UO2 to understand the microstructure evolution during 300 keV Xe irradiation at room temperature. The dislocation microstructure evolution was shown to occur as nucleation and growth of dislocation loops at low irradiation doses, followed by transformation to extended dislocation segments and tangles at higher doses. Xe bubbles with dimensions of 1-2 nm were observed after room-temperature irradiation. Electron Energy Loss Spectroscopy indicated that UO2 remained stoichiometric under room temperature Xe irradiation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
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↗