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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Effects of Undercooling and Cooling Rate on Peritectic Phase Crystallization Within Ni-Zr Alloy Melt

The liquid Ni-16.75 at. pct Zr peritectic alloy was substantially undercooled and containerlessly solidified by an electromagnetic levitator and a drop tube. The dependence of the peritectic solidification mode on undercooling was established based on the results of the solidified microstructures, crystal growth velocity, as well as X-ray diffraction patterns. Below a critical undercooling of 124 K, the primary Ni{sub 7}Zr{sub 2} phase preferentially nucleates and grows from the undercooled liquid, which is followed by a peritectic reaction of Ni{sub 7}Zr{sub 2}+L → Ni{sub 5}Zr. The corresponding microstructure is composed of the Ni{sub 7}Zr{sub 2} dendrites, peritectic Ni{sub 5}Zr phase, and inter-dendritic eutectic. Nevertheless, once the liquid undercooling exceeds the critical undercooling, the peritectic Ni{sub 5}Zr phase directly precipitates from this undercooled liquid. However, a negligible amount of residual Ni{sub 7}Zr{sub 2} phase still appears in the microstructure, indicating that nucleation and growth of the Ni{sub 7}Zr{sub 2} phase are not completely suppressed. The micromechanical property of the peritectic Ni{sub 5}Zr phase in terms of the Vickers microhardness is enhanced, which is ascribed to the transition of the peritectic solidification mode. To suppress the formation of the primary phase completely, this alloy was also containerlessly solidified in free fall experiments. Typical peritectic solidified microstructure forms in large droplets, while only the peritectic Ni{sub 5}Zr phase appears in smaller droplets, which gives an indication that the peritectic Ni{sub 5}Zr phase directly precipitates from the undercooled liquid by completely suppressing the growth of the primary Ni{sub 7}Zr{sub 2} phase and the peritectic reaction due to the combined effects of the large undercooling and high cooling rate.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Hot-Tearing Assessment of Multicomponent Nongrain-Refined Al-Cu Alloys for Permanent Mold Castings Based on Load Measurements in a Constrained Mold

The hot-tearing resistance of multicomponent Al-Cu alloys during permanent mold casting was investigated using a constrained permanent mold in which the load and temperature were measured. The nominal Cu composition was varied from 5 to 8 wt pct. Casting experiments were conducted without adding any grain-refining inoculants. The following variables, which were obtained from the measured load data during casting, were considered to assess the hot-tearing resistance of the Al-Cu multicomponent alloys: “V”-like signature in the load rate variation, load at solidus point, and load rate average over the freezing range. In addition, a hot-tearing criterion based on the variation of the fraction of solid in the late stages of solidification was used. It was found that all criteria considered can accurately predict the alloys with the lowest and highest hot-tear resistance, respectively. It was found that the rate of measured load during casting could be used to indicate substantial hot tearing. However, the load rate variation could not be used to detect when small hot tears were present. Among all the criteria considered, the load at the solidus point shows an excellent agreement with experimentally observed hot-tearing resistance for all but one alloy. The poorly resistant hot-tearing alloys exhibited mainly coarse columnar grains while the most hot-tearing resistant alloys exhibited a much more refined grain microstructure. This is the first study in which good hot-tear resistance is demonstrated for multicomponent Al-Cu alloys with nominal Cu content greater than 7 wt pct.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Evolution of A-Type Macrosegregation in Large Size Steel Ingot After Multistep Forging and Heat Treatment

A-type macrosegregation refers to the channel chemical heterogeneities that can be formed during solidification in large size steel ingots. In this research, a combination of experiment and simulation was used to study the influence of open die forging parameters on the evolution of A-type macrosegregation patterns during a multistep forging of a 40 metric ton (MT) cast, high-strength steel ingot. Macrosegregation patterns were determined experimentally by macroetch along the longitudinal axis of the forged and heat-treated ingot. Mass spectroscopy, on more than 900 samples, was used to determine the chemical composition map of the entire longitudinal sectioned surface. FORGE NxT 1.1 finite element modeling code was used to predict the effect of forging sequences on the morphology evolution of A-type macrosegregation patterns. For this purpose, grain flow variables were defined and implemented in a large scale finite element modeling code to describe oriented grains and A-type segregation patterns. Examination of the A-type macrosegregation showed four to five parallel continuous channels located nearly symmetrical to the axis of the forged ingot. In some regions, the A-type patterns became curved or obtained a wavy form in contrast to their straight shape in the as-cast state. Mass spectrometry analysis of the main alloying elements (C, Mn, Ni, Cr, Mo, Cu, P, and S) revealed that carbon, manganese, and chromium were the most segregated alloying elements in A-type macrosegregation patterns. The observed differences were analyzed using thermodynamic calculations, which indicated that changes in the chemical composition of the liquid metal can affect the primary solidification mode and the segregation intensity of the alloying elements. Finite element modeling simulation results showed very good agreement with the experimental observations, thereby allowing for the quantification of the influence of temperature and deformation on the evolution of the shape of the macrosegregation channels during the open die forging process.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Entrapment of Inclusions by Solidified Hooks at the Subsurface of Ultra-Low-Carbon Steel Slab

To understand the mechanism for the entrapment of non-metallic inclusions by curved hooks beneath the surface of continuous casting slabs, the etching of the slab, the observation of hooks and the detection of inclusions on sections vertical and parallel to the slab surface were performed. The location of inclusions and hooks was revealed, and forces acting on the inclusion below a hook were analyzed. Inclusions gathered more below the curved hook than in the overflow zone above the hook. From the observation of hooks and inclusions on sections vertical to the slab surface, the number density of 3 to 5 μm inclusions in the hook zone and no-hook zone was very close, while the number density of > 10 μm inclusions in the hook zone was larger than that in the no-hook zone. From the observation on sections parallel to the slab surface, > 20 μm inclusions were located near the hook line more than in other regions, and the number density of inclusions in the hook zone was more than that in the no-hook zone. The apparent friction coefficient dominated the critical capturing size of inclusions from the solidification front, and the deflection angle, flow velocity, sulfur content and solidification velocity had influences on the size range.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microsegregation Measurement: Methods and Applications

Microsegregation is chemical variation at the microstructural level in a solidified ingot, which can cause undesirable effects on material properties. Its formation is driven by different levels of solute elemental solubility between solid and liquid phases, resulting in solute buildup or depletion in the liquid phase during solidification. Characterization of microsegregation can be essential for understanding its formation and removing it through heat treatment. Measurement is frequently carried out via scanning electron microscope (SEM), though metallographic analysis, mechanical testing and optical radiography have been used. SEM analysis can consist of point measurements on single dendrites, line scans across or along dendrites, elemental maps, and extended line-based or grid-based analyses extending over many dendrites, which can generate large amounts of data. Line-based or grid-based data can be analyzed using scatterplots of element concentrations to visualize segregation behavior and sorting/ranking of data by a single element or a combination of elements, to give compositional profiles as a function of extent of solidification. For both qualitative and quantitative analyses, effects of phase transformations and secondary phases need to be considered as well as sorting of measurement errors when generating compositional profiles. Applications of analysis include determination of partition ratios, examination of solute–element interactions, determination of effects of cooling rate and back diffusion, applications to freckling studies, validations of modeling, and development of heat-treatment profiles.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A Comprehensive Analysis of Macrosegregation Formation During Twin-Roll Casting

A two-phase Eulerian–Eulerian volume-averaged model is used to predict the formation of macrosegregation during the twin-roll casting of inoculated Al-4 wt pct Cu alloys. For low solid fractions, the equiaxed crystals are modeled according to the submerged object approach. However, above a given transition limit, they are assumed to behave like a viscoplastic material. This means that the solid phase behaves as a coherent structure that can influence the motion of the liquid. Such approach allows one to take into account the flow dynamics arising from the occurrence of both solidification and hot rolling simultaneously, which usually occurs in twin-roll casting. Therefore, it is possible to explain the origin of the macrosegregation patterns obtained in the simulations based on the relative motion between the phases. Compression-induced expulsion of segregated melt is observed as a result of the deformation of the solidifying shells. Such occurrence leads to a negative macrosegregation region in the outer part of the as-cast strip. Then, because the solute-enriched melt is squeezed out toward adjacent regions, two positively segregated bands can be found near the center of the domain. Furthermore, it is shown how solidification-induced feeding weakens the absolute value of the negative and positive segregation bands.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Characterization of Inclusions in 3rd Generation Advanced High-Strength Steels

Samples taken from laboratory-produced 3rd generation advanced high-strength steels, solidified at a low cooling rate, have been investigated to study the characteristics of non-metallic inclusions. Two steels, containing 2 and 5 pct Mn content, were produced for this purpose. A higher number of total inclusions were observed in 5 pct Mn steel. The four main types of inclusions observed were Al{sub 2}O{sub 3}, AlN, MnS, and AlSiMn-oxide. These classes were divided into subclasses according to variations in their chemistry. The major subclasses of AlN inclusions are either plate-like or regular in shape and have different size distributions. Thermodynamic calculations suggest that plate-like AlN inclusions are formed at the initial stage of solidification, while faceted/regular-shaped inclusions are precipitated toward the end of solidification. Moreover, it was found that the size of nitride inclusions is related to their N content. This phenomenon is discussed from the viewpoint of nucleation theory.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Closure of Internal Porosity in Continuous Casting Bloom During Heavy Reduction Process

To investigate the closure behavior of internal porosity (also referred to as internal void) in continuous casting bloom during heavy reduction (HR) and thus provide theoretical guidance for minimizing this kind of internal defect more effectively with HR, a three-dimensional (3D) mechanical model was developed based on the predicted temperature field by a 2D heat transfer model. With this 3D mechanical model, closure behaviors of internal porosity in continuous casting bloom during HR at and after the strand solidification end under different process conditions were numerically studied. It was found that the void axis length decreased significantly along the bloom thickness direction and increased slightly along the casting and bloom width directions after HR, and the influence of the initial void size on the void closure was not obvious. With a decrease of temperature difference between the bloom surface and center, HR efficiency for minimizing internal void decreased, while the required reduction force significantly increased. Compared with blooms with a uniform temperature distribution of 1100 °C, the void closure index after HR implemented at the strand solidification end was increased by ~ 25 pct. Compared with a conventional flat roll, the application of a convex roll during HR could contribute to minimizing the internal porosity more effectively and significantly enhance the reduction capacity of the withdrawal and straightening units. The void closure index of η{sub s} and η{sub v} (where η{sub s} and η{sub v} were defined based on the variation of the void aspect ratio and the void volume, respectively) was closely related to the equivalent strain (ε{sub eq}) and the hydrostatic integration parameter (Q), respectively, and two mathematical equations were derived to quantitatively describe the relationship of η{sub s} − ε{sub eq} and η{sub v} − Q.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Effect of Al-Si Coating on Weld Microstructure and Properties of 22MnB5 Steel Joints for Hot Stamping

22MnB5 hot stamping steels are gradually being used in tailor-welded blank applications. In this experiment, 1-mm-thick Al-Si coated and de-coated 22MnB5 steels were laser-welded and then hot-stamped. The chemical compositions, solidification process, microstructure and mechanical properties were investigated to reveal the effect of Al-Si coating and heat treatment. In the welded condition, the coated joints had an Al content of approximately 2.5 wt.% in the fusion zone and the de-coated joints had 0.5 wt.% Al. The aluminum promoted the δ-ferrite formation as the skeletal structure during solidification. In the high-aluminum weld, the microstructure consisted of martensite and long and band-like δ-ferrite. Meanwhile, the low-aluminum weld was full of lath martensite. After the hot stamping process, the δ-ferrite fraction increased from 10 to 24% in the coated joints and the lath martensite became finer in the de-coated joints. The tensile strengths of the coated joints or de-coated joints were similar to that before hot stamping, but the strength of the coated joints was reduced heavily after hot stamping compared to the de-coated joints and base material. The effect of δ-ferrite on the tensile properties became stronger when the fusion zone was soft and deformed first in the hot-stamped specimens. The coated weld showed a brittle fracture surface with many cleavage planes, and the de-coated weld showed a ductile fracture surface with many dimples in hot-stamped conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Grain Refinement by Authigenic Inoculation Inherited from the Medium-Range Order Structure of Ni-Cr-W Superalloy

The combination of liquidus casting and thermal control solidification furnace was applied to obtain a fine-grained ingot. A rapid quenching method and x-ray diffraction measurement were used to investigate the effect of authigenic inoculation on grain refinement. The structure factor S(Q) of liquid Ni-Cr-W superalloy at 1400 °C (Liquidus temperature) and bright-field image of the microstructures quenched from 1400 °C have been measured by the high-temperature x-ray diffractometer and the transmission electron microscopy (TEM), respectively. The results show that a pre-peak exists on a S(Q) curve at the liquidus temperature. The clusters of atom in rapidly quenched microstructures obtained by isothermal heat treatment at 1400 °C were studied using TEM. Meanwhile, the effect of isothermal different temperatures on rapidly quenched microstructures was studied. The results also show that there are only the globular, equiaxed grains distributed in the solidification structure. These particles are inherited from the medium-range order structure, which is beneficial for grain refinement. The normalized work-hardening rate-strain curve indicates the work-hardening rate of fine grain is higher than that of conventional grain at the same temperature and the same deformation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Influence of Thermal History on the Hot Ductility of a Continuously Cast Low Alloyed Cr-Mo Steel

The hot ductility of a low alloyed Cr-Mo steel has been investigated to evaluate the surface cracking sensitivity within the straightening or unbending regime during the continuous casting process. Tensile samples were subjected to various thermal treatments, including melting and solidification, and were tested at deforming temperatures ranging between 600 and 1100 °C using a strain rate of 10{sup −3} s{sup −1}. Hot ductility was evaluated based on reduction in area measurement and metallographic investigations. The investigated steel exhibits a drop in ductility at around 800 °C due to intergranular cracking. Microstructural examinations and supplementary thermokinetic computer simulations were carried out to describe the evolution of the microstructure during solidification and cooling.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Microstructural and Mechanical Characterization of Directionally Solidified Conventional and Nb-Modified Mar-M247 Superalloy

This study analyzes the effects of replacing Ta by Nb (at.% basis) in the phase transformation temperatures, Scheil solidification behavior, and microstructural mechanical features of a Nb-modified as well as conventional Mar-M247 superalloys. Both alloys were directionally solidified at a withdrawal rate of 18 cm/h under a thermal gradient of about 80 °C/cm. DSC results were compared to thermodynamic simulations of phase transformation temperatures and showed a good correlation. The replacement of Ta by Nb has not altered the solidification path of Mar-M247, keeping the sequence L → L + γ → L + γ + MC → L + γ + MC + γ/γ′ eutectic. Due to the segregation of Hf and Zr to the very last liquid to solidify, a low melting point γ/Ni{sub 5}(Hf,Zr) constituent was observed. The as-solidified microstructures of both Mar-M247(Nb) and Mar-M247 were constituted of columnar dendrites of gamma matrix (γ) phase with cuboidal gamma-prime (γ′) precipitates. In addition, γ/γ′-eutectic was observed in the interdendritic region along with MC carbides in blocky, script (blocky dendritic), needle-like and fine nodular morphologies. Both alloys contained about 1.5 vol.% of MC carbides. The MC carbides in Mar-M247(Nb) and Mar-M247 are, respectively, Nb-rich and Ta-rich, with only a limited amount of Hf being detected in the MC phase. The yield stress of Nb-modified Mar-M247 showed higher values up to 750 °C. For higher temperatures, above 800 °C, a conventional Mar-M247 presented a higher value of yield stress.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Deformation Behavior of Pure Copper Castings with As-Cast Surfaces for Electrical Parts

Herein, the tensile deformation behavior of pure copper castings with as-cast surfaces was investigated. It was found that small and sufficiently large uniform elongation types corresponded, respectively, to the presence or absence of a Cu-Cu{sub 2}O eutectic phase in the microstructure. Fissure defects were observed near the as-cast surfaces when the eutectic phase was present, probably leading to stress concentration. On the other hand, surface pinholes were observed when the eutectic phase was absent, and these were not prevented by directional solidification. Although the as-cast specimens (non-directionally solidified) exhibited a slightly reduced uniform elongation compared to the machined specimens in the absence of the eutectic phase, the directionally solidified as-cast samples exhibited a uniform elongation that was similar to that of the machined specimens. In addition, micropore arrays were formed along the grain boundaries inside the castings when the eutectic phase was absent, whereas almost no micropores were observed inside the directionally solidified as-cast specimens because the solidification process involved a faster cooling rate and/or higher temperature gradient. These results do not only suggest the existence of surface pinholes but also indicate that microporosity can reduce the cross-sectional area of the specimens, thus, affecting their uniform elongation.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Building blocks for a digital twin of additive manufacturing

Properties and serviceability of additively manufactured components are affected by their geometry, microstructure and defects. These important attributes are now optimized by trial and error because the essential process variables cannot currently be selected from scientific principles. A recourse is to build and rigorously validate a digital twin of the additive manufacturing process that can provide accurate predictions of the spatial and temporal variations of metallurgical parameters that affect the structure and properties of components. Key building blocks of a computationally efficient first-generation digital twin of laser-based directed energy deposition additive manufacturing utilize a transient, three-dimensional model that calculates temperature and velocity fields, cooling rates, solidification parameters and deposit geometry. The measured profiles of stainless steel 316L and Alloy 800H deposits as well as the secondary dendrite arm spacing (SDAS) and Vickers hardness measurements are used to validate the proposed digital twin. The predicted cooling rates, temperature gradients, solidification rates, SDAS and micro-hardness values are shown to be more accurate than those obtained from a commonly used heat conduction calculation. Finally, these metallurgical building blocks serve as a phenomenological framework for the development of a digital twin that will make the expanding knowledge base of additive manufacturing usable in a practical way for all scientists and engineers.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A stochastic scan strategy for grain structure control in complex geometries using electron beam powder bed fusion

Spatial control of microstructure within a three-dimensional component has been a dream of materials scientists for centuries. However, limitations in traditional manufacturing processes prevent detailed control over the distribution of microstructures in a single part. Here, we demonstrate the ability to control grain structure and crystallographic texture during metal additive manufacturing for arbitrary cross-sections of a practical size, with profound implications for the design and optimization of next-generation products. The key to this advance is a new geometry agnostic scan path algorithm that manipulates the spatial distribution of solidification conditions. Utilizing a fundamental understanding of solidification dynamics and a model of the heat transfer during processing, we have designed this algorithm to manipulate the natural competition between epitaxial dendrite growth and grain nucleation. With this algorithm, we successfully controlled the grain structure of Ni-based superalloy IN718 in the shape of the Mona Lisa.

36 MATERIALS SCIENCE↗
DOE OSTI2023

3D Printed eutectic aluminum alloy has facility for site-specific properties

Additive manufacturing (AM) has the ability to print structures with site-specific properties. Existing AM approaches for site-specific properties are, however, based on complex processing-microstructure relationships in conventional alloys that were not designed for this purpose. Here, in this work, we report a straightforward approach for achieving site-specific properties that takes advantage of eutectic solidification characteristics. We demonstrate that the yield strength of a eutectic Al-Cu-Ce-Zr alloy can be tuned by varying the laser scan speed in concert with hatch spacing in laser powder bed fusion AM. A faster speed increases solidification rate resulting in finer eutectic spacing and higher strength. The hatch spacing is reduced at faster speeds to ensure overlap between melt pools which become smaller with increasing scan speed. The yield strength and its anisotropy relative to build direction are further tunable with a heat treatment. The scan speed-eutectic spacing-strength relationship is successfully applied to print a complex pattern of site-specific hardness in the alloy. The generalized principle of using AM for a eutectic alloy to create site-specific properties and anisotropy in properties is demonstrated.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Segmentation of tomography datasets using 3D convolutional neural networks

Dendritic microstructures are ubiquitous in nature and are the primary solidification morphologies in metallic materials. Techniques such as X-ray computed tomography (XCT) have provided new insights into dendritic phase transformation phenomena. However, manual identification of dendritic morphologies in microscopy data can be both labor intensive and potentially ambiguous. The analysis of 3D datasets is particularly challenging due to their large sizes (terabytes) and the presence of artifacts scattered within the imaged volumes. Here, in this study, we trained 3D convolutional neural networks (CNNs) to segment 3D datasets. Three CNN architectures were investigated, including a new version of FCDenseNet which we extended to 3D. We show that using hyperparameter optimization (HPO) and fine-tuning techniques, both 2D and 3D CNN architectures outperform the previous state of the art. The 3D U-Net architecture trained in this study produced the best segmentations according to quantitative metrics (intersection-over-union of 95.56% and a boundary displacement error of 0.58 pixels), while 3D FCDense produced the smoothest boundaries and best segmentations according to visual inspection. The trained 3D CNNs are able to segment entire 852 × 852 × 250 voxel 3D volumes in only ~60 s, thus hastening the progress towards a deeper understanding of phase transformation phenomena such as dendritic solidification.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Massively parallel phase-field simulations targeting exascale

The interface thickness in the phase-field (PF) method limits its simulation scales. Consequently, large-scale PF simulations become prohibitively expensive for resolving the extremely fine microstructures that typically form during rapid solidification processing. This challenge is significant in predicting microstructure evolution in metal additive manufacturing and has been identified by the United States Department of Energy’s Exascale Computing Project. Here, to address this, we develop a multi-GPU and MPI-based massively parallel simulation code, utilizing state-of-the-art algorithms, software, and libraries, for large-scale three-dimensional (3D) PF simulations. We report the first GPU-parallel PF simulations on Frontier (currently the second TOP500 exascale cluster) and Summit machines, taking dendritic growth as an example problem. We evaluate the parallel performance of our implementation using scaling studies with more than 24 000 GPUs (among the largest known computations to date) and the acceleration performance using large-scale simulations of dendritic growth in 3D. Finally, massively parallel GPUs in these supercomputers enabled the first coupled multiscale simulations of laser melting and subsequent dendritic solidification on the scale of a full melt-pool, demonstrating the feasibility of performing PF simulations with a point total over 2 billion grid points within an acceptable time.

Exascale↗