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At least 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

An anisotropic viscoplasticity model for shale based on layered microstructure homogenization

Viscoplastic deformation of shale is frequently observed in many subsurface applications. Many studies have suggested that this viscoplastic behavior is anisotropic—specifically, transversely isotropic—and closely linked to the layered composite structure at the microscale. In this work, we develop a two-scale constitutive model for shale in which anisotropic viscoplastic behavior naturally emerges from semianalytical homogenization of a bilayer microstructure. The microstructure is modeled as a composite of soft layers, representing a ductile matrix formed by clay and organics, and hard layers, corresponding to a brittle matrix composed of stiff minerals. This layered microstructure renders the macroscopic behavior anisotropic, even when the individual layers are modeled with isotropic constitutive laws. Using a common correlation between clay and organic content and magnitude of creep, we apply a viscoplastic modified Cam-Clay plasticity model to the soft layers, while treating the hard layers as a linear elastic material to minimize the number of calibration parameters. We then describe the implementation of the proposed model in a standard material update subroutine. The model is validated with laboratory creep data on samples from three gas shale formations. We also demonstrate the computational behavior of the proposed model through simulation of time-dependent borehole closure in a shale formation with different bedding plane directions.

58 GEOSCIENCES↗
DOE OSTI2025

Microstructure‐Dependent Sodium Storage Mechanisms in Hard Carbon Anodes

Sustainable energy storage is essential to support the transition to renewables and meet the increasing demand for energy. Sodium‐ion batteries (NIBs) are attractive for grid‐scale energy storage due to the abundance and low cost of sodium, sustainability of other battery components, and electrochemical performance. Hard carbon (HC) is a leading anode material for NIBs, but its complex microstructure complicates the understanding of sodium storage mechanisms. Using X‐ray total scattering and density functional theory calculations, this study clarifies how HC's microstructural variations influence sodium storage across the slope (high potential) and plateau (low potential) regions of the potential capacity curve. In the slope region, sodium initially adsorbs at high‐binding energy defect sites and subsequently intercalates between graphene layers, adsorbing at low‐binding energy defect sites, correlating with different slopes observed during initial sodiation. Initial irreversibility arises from sodium trapping at surface defects and solid electrolyte interface formation. In the plateau region, sodium simultaneously intercalates and fills pores, influenced by pore size, interlayer spacing, and defect concentration. HCs with larger pore sizes form larger sodium clusters. In conclusion, the proposed mechanism underscores the role of microstructure engineering in enhancing HC performance and advancing NIBs for grid‐scale energy storage.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Exploring the Microstructure-Property Relationship of Mg-Al-Mn alloys enhanced via Friction Stir Processing

Friction Stir Processing (FSP) is a solid-state thermomechanical processing technique that enables local grain refinement, densification, and homogenization of microstructure in metallic components. Here, FSP is applied to thin sheets of high-pressure die cast AM60 to address the porosity and heterogeneities inherent to the casting process. In this work, microstructure characterization is correlated to improvements in the static mechanical properties of the Mg-Al-Mn alloy system at various FSP processing conditions. Notably, there is a significant increase in the ductility and ultimate tensile stress of system following FSP. The dominant deformation mechanisms for the as-cast material and the FSP material are investigated. Finally, the fatigue life improvement is correlated to microstructure modifications that may lead to distinct behavior in crack initiation and crack propagation for the as-cast and FSP material.

Garcia, David↗
DOE OSTI2026

U-net architected deep material network training with microstructure local field information

The Deep Material Network (DMN) has recently emerged as a powerful reduced-order modeling framework for simulating the mechanical response of heterogeneous materials such as composites. Unlike most data-driven approaches that directly learn a material’s response under prescribed loading, the DMN acts as a homogenization operator, learning the kinematic constraints and mechanical interactions of the underlying microstructure. However, traditional DMN training relies exclusively on homogenized effective properties derived from Direct Numerical Simulations (DNS), discarding the rich local field data that govern microstructural interactions. In this work, we extend the DMN framework to incorporate such local field information into the offline training process. Utilizing a U-Net architecture, we augment the DMN training objective to include the first and second statistical moments of the local stress fields obtained from linear DNS. This ensures that the learned network topology not only fits the effective stiffness but also accurately reflects the internal local stress and strain partitioning of the microstructure. The results confirm that supervising the localization process during training yields a superior surrogate model, reducing local prediction errors by an order of magnitude and significantly improving generalization to unseen nonlinear constitutive behaviors compared to traditional DMNs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Understanding the Impact of Fuel on Surfactant Microstructure of Firefighting Foam

Abstract Aqueous film-forming foam is being phased out due to the environmental impacts of fluorinated surfactants contained in the firefighting foams. To develop an environmentally friendly firefighting foam, it is important to understand the factors controlling the firefighting performance of surfactants. Fuel transport through foam has been considered as a dominant mechanism for foam collapse. Therefore, the impact of fuels (heptane, octane and trimethylbenzene (TMB)) on surfactant microstructure was studied for three different types of surfactants (Capstone, Glucopon, and siloxane) that have applications in firefighting foam. Multiple techniques were used to identify the microstructure and interfacial properties of surfactants with and without exposure to liquid fuel. The ignition time of fuel vapor through foam and solubility of fuel through liquid surfactant solution were measured as well. This work shows fuel solubility has an impact on the surfactant microstructure and interfacial properties. In addition, fuel solubility and vapor pressure affect the ignition time of fuel vapors.

Engineering↗
DOE OSTI2017

Microstructural evolution of ion-irradiated sol–gel-derived thin films

In this paper, the effects of ion irradiation on the microstructural evolution of sol–gel-derived silica-based thin films were examined by combining the results from Fourier transform infrared, Raman, and X-ray photoelectron spectroscopy, Rutherford backscattering spectrometry, and elastic recoil detection. Variations in the chemical composition, density, and structure of the constituent phases and interfaces were studied, and the results were used to propose a microstructural model for the irradiated films. It was discovered that the microstructure of the films after ion irradiation and decomposition of the starting organic materials consisted of isolated hydrogenated amorphous carbon clusters within an amorphous and carbon-incorporated silica network. A decrease in the bond angle of Si–O–Si bonds in amorphous silica network along with an increase in the concentration of carbon-rich SiO x C y tetrahedra were the major structural changes caused by ion irradiation. Finally, in addition, hydrogen release from free carbon clusters was observed with increasing ion energy and fluence.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Fatigue crack growth resistance of a mesoscale composite microstructure Haynes 282 fabricated via electron beam melting additive manufacturing

Materials synthesis via additive manufacturing gives unprecedented control over the solidified microstructure. While a number of studies have demonstrated the ability to produce spatially varying microstructures, little work exists to understand the behavior of such “composite” materials. In this work, we utilized electron beam melting to process Ni-based superalloy Haynes 282 and produce compact tension samples with a spatially varying mesoscale structure. Fatigue crack growth experiments reveal that the crack growth rate is dependent on the degree of microstructural heterogeneity. This work demonstrates that the crack growth resistance can be tailored within a component using electron beam melting additive manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Microstructural refinement in ultrasonically modified A356 aluminum castings

Two A356 aluminum alloys (Al-Si-Mg), one with 0.09 wt.% Fe and one with 0.91 wt.% Fe, were cast in a graphite mold with the simultaneous application of local ultrasonic intensification to refine the as-cast microstructure. Ultrasonication during casting transformed the morphology of primary Al grains from dendritic (~140-290 microns in size) to globular (~33-36 microns in size). The alloy with high Fe exhibited globular grains at distances up to 45 mm away from the ultrasound probe, while the alloy with low Fe exhibited globular grains at distances only up to 6 mm away from the ultrasound probe. Near the location of the ultrasound probe (< 2 mm away), a second non-dendritic microstructural morphology was observed with fine aluminum grains (~9-25 microns in size). This unique fine-grained morphology has not been previously reported, contains a greater concentration of Si relative to the globular microstructure, and may be a large, fully eutectic region. Ultrasonication during casting also transformed the morphology of the ß-Al 5 FeSi phase particles (which are deleterious to the strength and ductility of the alloy) in the high Fe alloy from needle-like to rectangular, which could enable the greater use of secondary Al alloys. Thermodynamic simulations conducted to calculate the solidification paths of the two alloys studied predict that the ß-Al 5 FeSi phase begins to form earlier in the alloy with high Fe. Finally, data suggest that the ß-Al 5 FeSi phase (which is more abundant in alloys with high Fe content) may enhance ultrasonically-induced grain refinement.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Three-Dimensional Characterization and Modeling of Microstructural Weak Links for Spall Damage in FCC Metals

Local microstructural weak links for spall damage were investigated using three-dimensional (3-D) characterization in multicrystalline copper samples (grain size ≈ 450 µm) shocked with laser-driven plates at low pressures (2 to 4 GPa). The thickness of samples and flyer plates, approximately 1000 and 500 µm respectively, led to short pressure pulses that allowed isolating microstructure effects on local damage characteristics. Electron Backscattering Diffraction and optical microscopy were used to relate the presence, size, and shape of porosity to local microstructure. The experiments were complemented with 3-D finite element simulations of individual grain boundaries (GBs) that resulted in large damage volumes using crystal plasticity coupled with a void nucleation and growth model. Results from analysis of these damage sites show that the presence of a GB-affected zone, where strain concentration occurs next to a GB, correlates strongly with damage localization at these sites, most likely due to the inability of maintaining strain compatibility across these interfaces, with additional effects due to the inclination of the GB with respect to the shock. Results indicate that strain compatibility plays an important role on intergranular spall damage in metallic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Comparative evaluation of cast aluminum alloys for automotive cylinder heads: Part I Microstructure evolution

The present study stages a comparative evaluation of microstructure and associated mechanical and thermal response for common cast aluminum alloys that are used for manufacturing automotive cylinder heads. The systems considered are Al-Cu (206-T6), Al-Si-Cu (319-T7), and Al-Si (356-T6, A356-T6, and A356 + 0.5Cu-T6). The focus of the present manuscript is on the evaluation of microstructure at various length scales after aging, while the second manuscript will deal with the mechanical and thermal response of these alloys due to short-term (aging) and long-term (pre-conditioning) heat treatments. At the grain-scale, the Al-Cu alloy possessed an equiaxed microstructure as opposed to the dendritic structure for the Al-Si-Cu or Al-Si alloys which is related to the individual solidification conditions for these alloy systems. The composition and morphology of intermetallic precipitates within the grain and at the grain/dendritic boundary are dictated by the alloy chemistry, solidification, and heat treatment conditions. At the nanoscale, these alloys contain various metastable strengthening precipitates (GPI and θ''θ'' in Al-Cu alloy, θ'θ' in Al-Si-Cu alloy, and β'β' in Al-Si alloys) with varying size, morphology, coherency, and thermal stability.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Microstructure and Mechanical Properties of 21-6-9 Stainless Steel Electron Beam Welds

Welds can either be stronger or weaker than the base metals that they join depending on the microstructures that form in the fusion and heat-affected zones of the weld. In this paper, weld strengthening in the fusion zone of annealed 21-6-9 stainless steel is investigated using cross-weld tensile samples, hardness testing, and microstructural characterization. Due to the stronger nature of the weld, the cross-weld tensile tests failed in the base metal and were not able to generate true fusion zone mechanical properties. Nanoindentation with a spherical indenter was instead used to predict the tensile behavior for the weld metal. Extrapolation of the nanoindentation results to higher strains was performed using the Steinberg–Guinan and Johnson–Cook strength models, and the results can be used for weld strength modeling purposes. The results illustrate how microstructural refinement and residual ferrite formation in the weld fusion zone can be an effective strengthener for 21-6-9 stainless steel.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Geometry-Induced Spatial Variation of Microstructure Evolution During Selective Electron Beam Melting of Rene-N5

High gamma prime (γ') nickel-based alloys produced by selective electron beam melting are of interest to the turbine industry which requires control of microstructure in relation to loading conditions within complex component geometry. Welding literature predicts cracking and microstructure evolution as a function of alloy composition and process parameters in this class of alloys. In addition, Additive manufacturing causes variations in the above conditions due to the interaction of geometry on processing and heat transfer. The influence of geometry on processing conditions was explored for alloy Rene N5 by characterizing the solidification grain microstructure and solid-state precipitation. A Semi-Analytical Heat Transfer Model was employed to explain the resulting variation in solidification grain morphology that occurred due to the part geometry. Finally, the as-built precipitation structure was found to vary as a function of build height and had no correlation to the solidification grain structure or the layer geometry.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Retardation of Small Creep–Fatigue Crack in Gr. 91 Steel Through the Combined Effects of Stress Relaxation, Microstructural Evolution, and Oxidation

This investigation reports an unusual effect of hold time (up to 10 seconds) on retardation in the growth of creep–fatigue small cracks at 550 °C in Grade 91 steel. The observed phenomenon was interpreted by elucidating multiple processes that are active in the plastic zone at the crack tip. To this effect, microstructural and mechanical responses of the crack tip plastic zone were compared with the mechanical and microstructural responses during low cycle fatigue/creep–fatigue. It is proposed that the stress relaxation that occurs during the hold time can reduce the stress intensity in the plastic zone of crack tip thus, contributing to retardation in the small crack growth rate. Aside from stress relaxation, stress intensity in the crack tip can be further reduced by the phenomenon of cyclic softening that occurs because of plasticity-induced microstructural coarsening. Separately, the contribution of oxidation-induced crack tip shielding is also considered to explain the observed effects of hold time on crack growth rates. Taken together, a combination of stress relaxation, enhanced rate of cyclic softening, and higher degree of oxidation with the introduction of a hold time is demonstrated to be responsible for reduction in the crack growth under creep–fatigue conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Microstructure, Hardness, and Residual Stress of the Dissimilar Metal Weldments of SA508-309L/308L-304L

A dissimilar metal weldment consisting of SA508-309L-308L-304L is widely used in light-water nuclear reactors. These weldments demonstrate dissimilar susceptibility to stress corrosion cracking that are related to the microstructure, properties, and residual stress. In this work, microstructures, hardness, and the residual stress distribution of the dissimilar metal weldments were investigated, with the correlation of increased hardness in the heat-affected zone (HAZ) to the microstructure. 304L HAZ demonstrated similar grain morphology as the base material, and the increase in hardness was primarily attributed to the increased dislocation density. SA508 HAZ demonstrated a change of grain morphology resulting from the different peak temperatures and cooling rates. The increased hardness in the SA508 HAZ was attributed to the refined grain morphology, higher dislocation density, and higher number density of precipitates. A ~ 20–30-μm-wide martensitic zone formed at the fusion boundary of SA508-309L, where Cr-rich carbide precipitates were observed, with the average size and the number density of 44.1 ± 16.9 nm and 1.5 × 10 21 m ₋3 , respectively. In conclusion, residual stress results demonstrated the largest tensile stress at 309L butter, indicating its high cracking susceptibility.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Microstructural Evolution of Tantalum During Deformation and Subsequent Annealing

Microstructure-aware models are necessary to predict the behavior of material based on process knowledge or to extrapolate mechanical properties of materials to environmental conditions which are not easily reproduced in the laboratory, e.g., nuclear reactor environments. Elemental Ta provides a relatively simple BCC system in which to develop a microstructural understanding of deformation processes which can then be applied to more complicated BCC alloys. In situ neutron diffraction during compressive deformation and subsequent heat treatment have been used to monitor the evolution of microstructural features in Ta throughout simulated processing steps. Crystallographic texture and dislocation density are determined as a function of first plastic strain, then temperature. Lattice strains are determined and attributed to stresses at macroscopic, grain and dislocation length scales. The increase of the dislocation density through deformation and subsequent recovery during heat treatment is monitored through the changing diffraction line profile. Also, randomization of the texture is used as a signature of recrystallization. The recovery of dislocations through annihilation is not observed to depend on the initial dislocation density in the range studied here. In contrast, recrystallization is observed to depend strongly on the initially dislocation density.

36 MATERIALS SCIENCE↗
DOE OSTI2014

In Situ Synchrotron X-ray Study of Ultrasound Cavitation and Its Effect on Solidification Microstructures

Considerable progress has been made in studying the mechanism and effectiveness of using ultrasound waves to manipulate the solidification microstructures of metallic alloys. However, uncertainties remain in both the underlying physics of how microstructures evolve under ultrasonic waves, and the best technological approach to control the final microstructures and properties. We used the ultrafast synchrotron X-ray phase contrast imaging facility housed at the Advanced Photon Source, Argonne National Laboratory, US to study in situ the highly transient and dynamic interactions between the liquid metal and ultrasonic waves/bubbles. The dynamics of ultrasonic bubbles in liquid metal and their interactions with the solidifying phases in a transparent alloy were captured in situ. The experiments were complemented by the simulations of the acoustic pressure field, the pulsing of the bubbles, and the associated forces acting onto the solidifying dendrites. The study provides more quantitative understanding on how ultrasonic waves/bubbles influence the growth of dendritic grains and promote the grain multiplication effect for grain refinement.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microstructure Characterization of Fiber Laser Welds of S690QL High-Strength Steels

The use of fiber laser welding to join S690QL steels has attracted interest in the field of construction and assembly. Herein, 13-mm-thick S690QL welded joints were obtained without filler materials using the fiber laser. The as-welded microstructures and the impact energies of the joints were characterized and measured using electron microscopy in conjunction with high-resolution transmission electron images, X-ray diffraction, and impact tests. The results indicated that a single-sided welding technique could be used to join S690QL steels up to a thickness of 12 mm (fail to fuse the joint in the root) when the laser power is equal to 12 kW (scan speed 1 m/min). Double-side welding technique allows better weld penetration and better control of heat distribution. Observation of the samples showed that the fusion zone exhibited bainitic and martensitic microstructures with increased amounts of martensites (Ms) compared with the base materials. Also, the grains in the fusion zone increased in coarseness as the heat input was increased. The fusion zone exhibited increased hardness (397 HV{sub 0.2}) while exhibiting a simultaneous decrease in the impact toughness. The maximum impact energy value of 26 J was obtained from the single-side-welded sample, which is greater than those obtained from the double-side-welded samples (maximum of 18 J). Many more dislocations and plastic deformations were found in the fusion zone than the heat-affected zone in the joint, which hardened the joints and lowered the impact toughness. The microstructures characterized by FTEM–energy-dispersive X-ray spectrometer also exhibited laths of M, as well as stacking faults and dislocations featuring high-density, interfacial structure ledges that occur between the high-angle grain boundaries and the M and bainite.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A Technique for the Quantitative Characterization of Weld Microstructure and Application to Mo Welds

The choice of weld parameters determines the size, shape, and curvature of grains in the fusion zone (FZ) and heat-affected zone (HAZ) of welds while the mechanical properties of the welds are correlated to this microstructure. Here, a new technique to quantitatively evaluate these microstructural characteristics in both zones of welds has been applied to molybdenum gas tungsten arc welds fabricated using different weld parameters. Trends in microstructural characteristics in the FZ and HAZ were evaluated and correlated with changes to heat input, weld speed, and weld technique. The use of this approach showed that a 20 pct decrease in heat input caused a 20 pct decrease in the number of FZ grains with aspect ratios ≥ 4. The orientations of the FZ grain segments as a function of distance from the FZ centerline were significantly affected by the weld speed and its effect on weld pool shape. A 50 pct increase in weld speed caused a 20 pct decrease in grain segments orientated 60 to 90 deg from the normal to the direction of welding. This technique also captured differences in grain sizes and grain size anisotropy in the FZ between welds made with a constant current, pulsed current, and use of a 4-pole-magnetic oscillator.

36 MATERIALS SCIENCE↗