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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Rapid Phase Transitions of Thermotropic Glycolipid Quasicrystal and Frank‐Kasper Mesophases: A Mechanistic Rosetta Stone

Abstract Experimental results are presented that serve to lower the barrier for developing the science and technology of non‐classical thermotropic glycolipid mesophases, which now include dodecagonal quasicrystal (DDQC) and Frank–Kasper (FK) A15 and σ mesophases that can be produced under mild conditions from a versatile class of sugar‐polyolefin conjugates. By employing “alloys” comprised of mono‐ and disaccharide‐polyolefin conjugates, and optionally with vitamin E as a small molecule phase modulator, we report the spontaneous formation of stable A15 mesophases at ambient temperature. We further document a rich thermotropic phase map that includes DDQC, A15, and σ mesophases of tunable periodicity that are connected through rapid thermotropic phase transitions as a function of increasing temperature in the order: liquid‐like packing (LLP)→DDQC → A15→σ→ disorder. This first direct observation of a rapid thermotropic A15→σ phase transition provides support for a diffusionless martensitic process proceeding through strain‐induced introduction of planar defects into the A15 lattice.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Review and construction of interatomic potentials for molecular dynamics studies of hydrogen embrittlement in Fe─C based steels

Abstract Reducing hydrogen embrittlement in the low‐cost Fe─C based steels have the potential to significantly impact the development of hydrogen energy technologies. Molecular dynamics studies of hydrogen interactions with Fe─C steels provide fundamental information about the behavior of hydrogen at microstructural length scales, although such studies have not been performed due to the lack of an Fe─C─H ternary interatomic potential. In this work, the literature on interatomic potentials related to the Fe─C─H systems are reviewed with the aim of constructing an Fe─C─H potential from the published binary potentials. We found that Fe─C, Fe─H, and C─H bond order potentials exist and can be combined to construct an Fe─C─H ternary potential. Therefore, we constructed two such Fe─C─H potentials and demonstrate that these ternary potentials can reasonably capture hydrogen effects on deformation characteristics and deformation mechanisms for a variety of microstructural variations of the Fe─C steels, including martensite that results from γ to α phase transformation, and pearlite that results from the eutectic formation of the Fe 3 C cementite compound.

Zhou, Xiaowang↗
DOE OSTI2021

Quantifying adherence of oxide scales on steels exposed to high temperature and pressure steam

Oxide scale exfoliation is a major concern in fossil fuel power generation because it can cause tube blockages and erode valves and steam turbine components downstream. There is still considerable scientific and commercial interest to improve the mechanistic understanding of oxide failures by developing models to predict exfoliation and the extent of tube blockage as a function of operating conditions and component geometries. Tensile testing inside a scanning electron microscope was conducted on ferritic–martensitic and austenitic steel specimens with the steam side (Fe,Cr)-rich oxides grown after exposures for up to 1000 h in steam with ~100 ppb O 2 at 276 bar and 550°C. Multiple oxide layer cracks and delamination events were observed and analyzed in detail during the tests. Results from the testing agreed well with earlier observations that had identified the failure location at the outer–inner oxide layer for all tested materials. Calculated adhesion energies identified the outer–inner oxide interface of alloy 347HFG as the weakest interface.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Evaluation of coated steels in supercritical CO 2

The carburizing supercritical CO 2 (sCO 2 ) environment limits the use of lower cost steels in the lower temperature (450–650°C) portions of the sCO 2 Brayton cycle because of concerns about internal carburization and embrittlement. Results on a ferritic–martensitic steel and conventional and advanced austenitic steels at 450–650°C in 30 MPa sCO 2 with and without 1% O 2 and 0.1% H 2 O additions have indicated that sCO 2 environments will have lower maximum operating temperatures compared to steam plants. Pack Al and Cr coatings were evaluated at 650°C on T91 and 316H substrates and showed some benefit for up to 2000 h at 650°C, especially without impurities. However, characterization indicated Al 2 O 3 was not formed and Cr-rich carbides formed in the Cr coatings. With the addition of impurities in the sCO 2 , the coatings were less protective at 650°C. Subsequent exposures at 600°C in sCO 2 showed similar behavior. Postexposure evaluations included measuring the bulk C content and room temperature tensile properties. Finally, improvements were indicated but the tensile results were complicated by the high temperature pack coating process affecting the substrate properties.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Austenite Formation and Manganese Partitioning during Double Soaking of an Ultralow Carbon Medium‐Manganese Steel

Double soaking (DS) is a thermal processing route intended to produce austenite–martensite microstructures in steels containing austenite‐stabilizing additions and consists of intercritical annealing (primary soaking), followed by heating and brief isothermal holding at an increased temperature (secondary soaking), and quenching. Herein, experimental dilatometry during DS of a medium‐manganese (Mn) steel with nominally 7 wt% Mn and an ultralow residual carbon concentration, in combination with phase‐field simulations of austenite formation during secondary soaking, is presented. The feasibility of maintaining heterogeneous Mn distributions during DS is demonstrated and insight is provided on the effects of the secondary soaking temperature and prior Mn distribution on the ferrite‐to‐austenite phase transformation during the secondary soaking portion of the DS treatment.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Fatigue behavior of low-cost, non-spherical Ti-6Al-4V powder processed via laser powder bed fusion

Hydride-dehydride Ti-6Al-4V powder with particle size distribution of 75–175 μm were used to manufacture fatigue samples. Optimized processing parameters were used to maintain a relative density of >99.5% in the samples. Fatigue tests were carried out in R = σ min /σ max = -1 condition under stresses ranging from 150 to 500 MPa and the results were compared to samples that were additively manufactured using spherical powders. The fatigue lives were similar between the two types of powder; i.e., powder morphology has no effect on fatigue performance. However, the high surface roughness and martensitic microstructure resulting from the laser powder bed fusion process result in poor performance compared to samples machined from conventionally produced materials. In conclusion, crack initiation occurred consistently from surface defects because of high surface roughness of the additively manufactured parts.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Multilayered microstructures with shape memory effects for vertical deployment

This paper presents a fabrication and characterization of multilayered microstructures with shape memory effects enabling large vertical deployment under electro-thermal actuation. Our previous research demonstrated vertical deployment of such microstructures by the effect of thermal mismatch. Development of equiatomic NiTi layers in the multilayered microstructure is investigated further for shape memory effects. Multilayered microstructures are built by sputtered NiTi layers and a lift-off process. Negative photoresist ma-N1420 enables clean lift-off of 500 nm thick NiTi layers by forming a significant undercut profile after development. The parametric study on co-sputter powers for Ti and Ni 50 Ti 50 targets suggests that 100 W RF on Ti target and 200 W DC on Ni 50 Ti 50 target can deposit Ni 49.62 Ti 50.38 layers. X-Ray Diffraction (XRD) and Atomic Force Microscopy (AFM) were used to study the crystal structures and surface topography of NiTi layers. XRD results of post-annealed Ni 49.62 Ti 50.38 layers show coexistence of austenite and martensitic phases at room temperature, suggesting that the transformation temperature of such NiTi layers should be approximate 20 °C. The surface topography of Ni 49.62 Ti 50.38 layers reveals substantial increase of surface roughness at ambient conditions after the annealing. Experimental verification of the multilayered microstructure for vertical deployment was carried out by Signatone Probe Station and Dual Scanning Electron Microscope/Focused Ion Beam (SEM/FIB) system. Finally, a vertical deployment of the two-dimensional (2D) multilayered microstructures for three-dimensional (3D) can be detected by applying a constant voltage of 0.04 V, and the expected 3D deployment displacement is enlarged from 2 μm to 10 μm by introducing the shape memory effect.

42 ENGINEERING↗
DOE OSTI2020

Revisiting the first Sandia Fracture Challenge with transient deformation heating and strain localization considerations

In this study, we present a systematic experimental study and accompanying theoretical analysis of the dependence of ductile fracture on strain localization, strain hardening rates, deformation-induced thermal softening, and transient heat conduction under spatially uniform as well as spatially heterogeneous deformation. Spatially uniform cases are studied via standard dogbone shaped specimens subject to uniaxial tension. Spatially heterogeneous deformation is studied via the so-called Sandia Fracture Challenge (SFC) specimen, which is a standard compact tension specimen modified with three machined holes in front of a blunt notch. We utilize the same precipitation hardened martensitic stainless steel used in the first SFC experiments, i.e. 15-5 PH with an H1075 heat treatment. We also study 15-5 PH in Condition A and with the H900 heat treatment, each of which has a different hardening behavior and ductility. We find that the ductility does not correlate with the deformation to first crack initiation in the SFC specimen. Instead, hardening rates are better correlated. Moreover, a re-examination finds that an accurate calibration of the hardening rates is strongly correlated with accurate blind predictions of ductile fracture in the SFC specimens. Given that thermal softening can greatly affect hardening rates, we provided a thermographic analysis of deformation-induced heating and transient heat transfer in both the dogbone shaped samples and the SFC specimens. Transient heating in stainless steels is found to have first-order effects on the strain at the onset of necking, strain to fracture, as well as strain localization and ductile fracture in complex geometries even under so-called quasi-static loading rates.

42 ENGINEERING↗
DOE OSTI2024

Exploring Fission–Fusion Synergies to Accelerate Compatibility Understanding

To address the significant commercial interest in fusion energy, it will be necessary to accelerate the compatibility research associated with liquid breeders including Li, eutectic Pb–Li and LiF-BeF 2 (FLiBe) molten salt. Particularly for FLiBe, compatibility understanding is limited especially for fusion relevant materials such as reduced activation ferritic-martensitic steels, SiC and V alloys. The historical knowledge associated with molten salt reactors (MSRs) and recent work to commercialize MSRs can benefit fusion research. Recent experimental and modeling work has improved understanding and this knowledge can be applied to fusion relevant materials. For liquid metals (LMs), the comparisons to Li and Pb–Li are less direct but nevertheless can help guide the pathway toward commercialization. For Pb–Li, Al-rich coatings have been shown to inhibit dissolution and potentially increase operating temperatures. For commercialization, the experience with sensors and on-line cleanup can help guide future developments. Thus, it is worth considering the potential for fission-related research with LMs and molten salts to help accelerate fusion research.

36 MATERIALS SCIENCE↗
DOE OSTI2020

An Alternative Casting Technique to Improve the Creep Resistance of Cast INCONEL Alloy 740H

The increasing performance requirements of power plant designs, such as advanced-ultra supercritical (A-USC), require the use of Ni-based superalloys to replace high-strength, ferritic-martensitic steels for components subjected to temperatures above 898 K (625 °C) and for austenitic stainless steels components at temperatures above 973 K (700 °C). To date, commercial Ni-based superalloy INCONEL 740H has been shown to be appropriate for use in A-USC power plants as boiler components in a wrought product. However, large complex components in boilers as well as other casings in the turbine and valve chest require castings of a thick-wall nature. Using the alloy in its cast form would be significantly valuable in terms of range of component size, geometry and complexity. Previous investigations revealed short creep lives from cast INCONEL alloy 740H. Here in this investigation, an alternative casting route that utilized a melt procedure resulting in a fine-grain casting, and in conjunction with a computationally optimized homogenization heat treatment, not only controlled the grain size and grain boundary structure but minimized chemistry variability and segregation. A primarily equiaxed and homogenous grain size distribution was obtained from this approach with better repartition of M 23 C 6 carbides along the grain boundaries. Furthermore, better than 38 pct increase was obtained for this material in comparison to the creep life obtained from the best performing conventionally cast material. More importantly, the fine-grain homogenized (FGH) casting route resulted in the Larson–Miller plot for this material that coincided with that of wrought alloy 740. At low creep stresses (with a test still in progress), the FGH casting is resulting in higher values of the LMP than the wrought alloy.

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 OSTI2021

A Mechanism for Carbon Depletion at Bondline of High-Frequency Electric-Resistance-Welded X70 Pipeline Steel

The bondline of electric-resistance-welded (ERW) linepipe steel, often etched white (i.e., ferrite) in optical microscopy, is generally believed to be carbon depleted. The mechanism for the carbon depletion, however, is not fully understood by researchers. To this end, here we used atom probe tomography (APT) to measure elemental segregation of the as-welded and post-weld heat-treated bondline regions of X70 linepipe welds. The thin vertical features at the bondline in the as-welded condition were identified as carbon-rich martensite-austenite (M-A) constituents, and the majority ferrite phase in the bondline was identified as carbon-depleted ferrite. Following the post-weld normalization, all alloying elements, except Nb and Mo, are homogenized across the bondline and heat-affected zone. The carbon depletion in the ERW bondline was accurately measured. A new mechanism for carbon depletion has been proposed using Scheil calculations of elemental partitioning during weld formation. Segregation of elements in the heat-affected zone was shown to follow the negligible partitioning local equilibrium (NPLE) kinetics for bainite transformation.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Manipulating Retained Austenite Fraction and Stability With Controlled Chemical Heterogeneities in Q&P Steels

Advanced high-strength steels go through complex heat treatment processes with the goal of retaining austenite to enhance the mechanical properties. Martensite start temperature predictions are generally based on bulk composition when designing heat treatments, so compositional heterogeneities are not considered. Here, the effects of compositional heterogeneities on retained austenite fractions in a quenching and partitioning steel are investigated. In conclusion, the results show that Mn banding from solidification can be used to change retained austenite fractions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Insights into the Transformation-Induced Plasticity (TRIP) Effect in Ti-Free Grade 300 Maraging Steel Manufactured by Laser Powder Bed Fusion (LPBF)

The near-net fabrication capabilities of laser powder-bed fusion (LPBF) offer the potential to manufacture tools with complex cooling channels that can improve the production efficiency of the tools with reduced greenhouse gas emissions. High strength, toughness, and wear resistance are some of the key properties required by the tooling industries to qualify tools. While strength can be increased through appropriate heat treatments, the increase in strength comes with an associated ductility loss. Here, we show that the non-equilibrium conditions inherent to LPBF can suppress the transformation-induced plasticity effect to room temperature in a Ti-free version of grade 300 maraging steel (G300MS), which is commonly not observed at room temperature in G300MS manufactured using conventional methods. The presence of retained austenite along with Ni-rich regions was found to increase the kinetics for austenite reversion during aging, thereby enabling the transformation of austenite into ε martensite during tensile deformation at room temperature, in turn increasing the strength with minimal ductility loss.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High-Throughput Nanoindentation Mapping of Additively Manufactured T91 Steel

Here, this work aims to adapt nanoindentation mapping combined with a k-means algorithm as a high-throughput technique to study the nano-scale spatial changes in mechanical properties for a heterogeneous material. This technique can also classify the individual data points based on their properties. Hundreds to thousands of indents were performed on additively manufactured T91 at room temperature, 300°C, 400°C, and 500°C across a square area with a side length of 120 μm to 400 μm. From this data, the hardness and reduced modulus at each point could be calculated and mapped. Using k-means clustering, we were able to arrange the data into three or four clusters corresponding roughly to the ferritic and martensitic phases as well as one or two intermediate clusters sampling both the phases. The hardness of these two phases appears to be quite stable as a function of temperature. Nanoindentation mapping and the k-means algorithm can therefore be used to rapidly assess the feasibility of heterogeneous materials under extreme conditions, such as nuclear reactor steels.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Assessment of Outliers in Alloy Datasets Using Unsupervised Techniques

We report advancements in data analytics techniques have enabled complex, disparate datasets to be leveraged for alloy design. Identifying outliers in a dataset can reduce noise, identify erroneous and/or anomalous records, prevent overfitting, and improve model assessment and optimization. In this work, two alloy datasets (9-12% Cr ferritic martensitic steels, and austenitic stainless steels) have been assessed for outliers using unsupervised techniques and supplemented with domain knowledge. Principal component analysis and k-means clustering were applied to the data, and points were assessed as outliers based on their distance away from other points in the cluster and from other points in the dataset. The outlier characteristics were investigated to determine both cluster-specific and overall trends in the properties of the outlier points. The approach demonstrated here is extensible to other alloy datasets for outlier identification and evaluation to improve the reliability of machine learning and modeling predictions for advanced alloy design.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ion Implantation-Induced Plastic Phenomena in Metallic Alloys

Ion implantation is widely used for doping semiconductors or electroceramic materials and probing material behaviors in extreme radiation environments. However, implanted ions can induce compressive stresses into the host material, which can induce plasticity and mesoscopic deformation. However, these phenomena have almost exclusively been observed in brittle ionic and/or covalently bonded materials. Here, in this study, we present transmission electron microscopy observations of unusual implantation-induced plasticity in two metallic alloys. First, Fe 2+ ions induce dislocation plasticity below the implanted layer in a model Fe-P alloy. Next, He+ ions form pressurized cavities which activate the fcc-to-hcp strain-induced martensitic transformation in Alloy 625. In both cases, the plasticity can be explained by a combination of implanted ions being incorporated into the lattice and the creation of irradiation defects. These findings have significant implications for mechanical testing of ion-implanted layers, while also opening pathways for using ion implantation to tune stress distributions in metallic alloys.

36 MATERIALS SCIENCE↗