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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Two-layer cathode architecture for high-energy density and high-power density solid state batteries

Solid state batteries with high-energy density and high-power density require the development of thick and energy dense cathodes. Structured cathode electrodes with a double-layer configuration were enabled using a freeze tape casting technique. A bottom dense layer was utilized to enhance the energy density whereas a top porous layer with vertically aligned walls was utilized to enhance the power density. The porous structure of the power layer was achieved by ice templating this layer on top of the densified energy layer of the cathode. This configuration was found to better utilize the active material of the cathodes and was optimized using numerical simulation and computer modeling. Cells with Li metal anode and LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) at approximately 5 and 20 mg/cm 2 were cycled at 70 °C at different C-rates. Poly(ethylene oxide) (PEO) with lithium bis-trifluoromethanesulfonimide (LiTFSI) was used for the catholyte and the solid-state electrolyte. The structured cathodes exhibited more than double capacity values as well as better Coulombic efficiency compared to non-structured (single-layer) thick cathodes. In conclusion, synchrotron X-ray tomography and scanning electron microscopy were used to characterize the microstructure of the cathodes.

25 ENERGY STORAGE↗
DOE OSTI2017

Development of Integrated Die Casting Process for Large Thin-Wall Magnesium Applications

The purpose of this project was to develop a process and product which would utilize magnesium die casting and result in energy savings when compared to the baseline steel product. The specific product chosen was a side door inner panel for a mid-size car. The scope of the project included: re-design of major structural parts of the door, design and build of the tooling required to make the parts, making of parts, assembly of doors, and testing (both physical and simulation) of doors. Additional work was done on alloy development, vacuum die casting, and overcasting, all in order to improve the performance of the doors and reduce cost. The project achieved the following objectives: 1. Demonstrated ability to design a large thin-wall magnesium die casting. 2. Demonstrated ability to manufacture a large thin-wall magnesium die casting in AM60 alloy. 3. Tested via simulations and/or physical tests the mechanical behavior and corrosion behavior of magnesium die castings and/or lightweight experimental automotive side doors which incorporate a large, thin-wall, powder coated, magnesium die casting. Under some load cases, the results revealed cracking of the casting, which can be addressed with re-design and better material models for CAE analysis. No corrosion of the magnesium panel was observed. 4. Using life cycle analysis models, compared the energy consumption and global warming potential of the lightweight door with those of a conventional steel door, both during manufacture and in service. Compared to a steel door, the lightweight door requires more energy to manufacture but less energy during operation (i.e., fuel consumption when driving vehicle). Similarly, compared to a steel door, the lightweight door has higher global warming potential (GWP) during manufacture, but lower GWP during operation. 5. Compared the conventional magnesium die casting process with the “super-vacuum” die casting process. Results achieved with cast tensile bars suggest some improvement in tensile properties with vacuum casting. Plant trials with large castings revealed cavity fill issues attributed to cooling and partial solidification of metal in the shot sleeve while waiting for vacuum to be established in the die cavity. 6. Developed age-hardenable Mg-based alloys as potential alternatives to the AM60 and AZ91 alloys typically used in automotive applications. Mg-7%Al-based alloys having Sn or Sn+Si additions exhibited significant age hardening, but more work is needed to demonstrate significant improvement in tensile properties. Corrosion behavior of these alloys is between those of AM60 and AZ91 alloys. 7. Evaluated the die casting of magnesium directly onto either steel or aluminum tubes as a potential process to make large lightweight subassemblies. Samples were free of gross defects, but additional work is needed to increase the interfacial shear strength. Overall, the project demonstrated that an automotive door-in-white design incorporating a die cast magnesium inner panel and a stamped aluminum outer panel can achieve approximately 50% mass reduction compared to the stamped steel baseline door-in-white. This leads to reduced energy consumption when driving the vehicle, which should more than offset the increased embedded energy of manufacture associated with the lighter metals. However, additional design work would be needed in order to meet the mechanical performance required of a door. Development of high-strength, high-ductility magnesium alloy castings would help make this technology more attractive for potential use in the side doors on automobiles. Also, increased use of recycled magnesium and aluminum would reduce the embedded energy and greenhouse gas emissions associated with the manufacture of this type of lightweight door. Commercialization planning of the type of lightweight door technology addressed in this project would be contingent upon the doors meeting all technical performance requirements of the car maker. The specific lightweight door developed in this project didn’t meet some of those requirements, but a preliminary business case study was conducted anyhow. This study considered the ratio of cost increase to mass decrease when the lightweight door is compared to a baseline steel door. The ratio was found to be in an acceptable range for some vehicle programs, especially if the number of such vehicles to be produced is equal to or slightly less than the estimated 250,000-shot life of the die set. This would allow for the investment in the dies to be spread across many parts and thereby help minimize the cost increase.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

Mathematical Modeling on the Influence of Casting Parameters on Initial Solidification at the Meniscus of Slab Continuous Casting

In the current study, the two-dimensional mold model was applied to investigate the influence of different casting parameters on the initial solidification at the meniscus of the continuous casting mold. The profile of the meniscus and the slag rim, and the heat flux on the hot face of the copper plate, were compared with different locations of the mold and different casting parameters. The depth of the oscillation marks and solidified meniscus through simulation was measured with different casting parameters. With the mold oscillating downward from the peak to the valley, the maximum heat flux on the hot face of the copper plate near the meniscus increased from 4.3 to 5.5 MW/m{sup 2}, the thickness of the slag rim decreased from 4.7 to 4.2 mm, and the height of the curved meniscus also decreased. With the increase of casting speed from 1.2 to 1.45 m/min, the maximum speed of the upper backflow increased from 0.6 to 0.8 m/s, and the lowest location of the meniscus at approximately 310 mm from the copper plate decreased from 22 to 12 mm below the meniscus near the nozzle, where the slag entrapment easily occurred. With the increase of the casting speed, casting superheat, and oscillation frequency, and the decrease of the water flow rate in the mold and oscillation amplitude, the thickness of the slag rim decreased. With the increase of casting speed and superheat, and the decrease of the water flow rate in the mold, oscillation frequency, and oscillation amplitude, the depth of the solidified meniscus decreased. The regression equation was fitted to estimate the depth of hooks at the subsurface of slabs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A Simple, Scalable Large Deformation Solid Mechanics Implementation in the MOOSE Framework

This article describes a large deformation solid mechanics solver implemented as part of the freely available and open source MOOSE finite element simulation framework. The article documents the choices made in developing the solid mechanics framework and describes novel formulations for the gradient operator and constitutive modeling framework made to simplify implementations of different coordinate systems, stabilized gradient operators, and different constitutive model inputs and outputs. In the process, the article describes a new formulation that casts objective integration of the Cauchy stress as a linear transformation of the small stress rate. Finally, the article presents key implementation details and examines the parallel efficiency of the solid mechanics solver implemented in MOOSE. The implementation retains a good weak scaling efficiency beyond 1,000 parallel processes. The article includes a discussion of the factors limiting the parallel efficiency of implicit, large deformation solid mechanics codes on current high-performance computers, with the main current limitation being the scalability of the algebraic multigrid methods used to solve the linearized equilibrium equations.

Applied computing → Computer-aided design↗
DOE OSTI2019

Manufacture of Wear-Resistant Cast-Iron Grinding Balls without Shrinkage Defects

A manufacturing technology has been developed for wear-resistant cast-iron grinding balls without shrinkage defects. In this method, the balls are cast in single-use sand–clay molds. A new approach to designing the casting system is developed. By numerical modeling, the time dependence of solidification is derived. As a trial, grinding balls are produced by the proposed technology.

42 ENGINEERING↗
DOE OSTI2020

Model-based Reconstruction for Single Particle Cryo-Electron Microscopy

Single particle cryo-electron microscopy is a vital tool for 3D characterization of protein structures. A typical workflow involves acquiring projection images of a collection of randomly oriented particles, picking and classifying individual particle projections by orientation, and finally using the individual particle projections to reconstruct a 3D map of the electron density profile. The reconstruction is challenging because of the low signal-to-noise ratio of the data, the unknown orientation of the particles, and the sparsity of data especially when dealing with flexible proteins where there may not be sufficient data corresponding to each class to obtain an accurate reconstruction using standard algorithms. In this paper we present a model-based image reconstruction technique that uses a regularized cost function to reconstruct the 3D density map by assuming known orientations for the particles. Our method casts the reconstruction as minimizing a cost function involving a novel forward model term that accounts for the contrast transfer function of the microscope, the orientation of the particles and the center of rotation offsets. We combine the forward model term with a regularizer that enforces desirable properties in the volume to be reconstructed. Using simulated data, we demonstrate how our method can significantly improve upon the typically used approach.

Venkatakrishnan, Singanallur↗
DOE OSTI2018

Carbide Particle Redistribution in U10Mo Alloy during Hot Rolling Process

The influence of initial carbide particle distribution features on the evolution of particle and stringer distribution within U10Mo alloy during hot rolling was investigated in this study. This work will provide guidance to casting optimization work and identify actionable process changes to eliminate the surface features directly attributed to carbides. Various synthetic microstructure-based finite-element (FE) models were generated with consideration of different parameters (i.e., particle shape, particle volume fraction and particle distribution). Plane-strain compression loading was employed in the FE models to simulate hot rolling to 40% and 80% reductions. Stringer statistics analyses and two-point correlation functions were then performed with the simulated hot-rolling results. The results from stringer analyses show that stringer volume fraction substantially increases with increased rolling reduction for microstructure with particles distributed along grain boundaries, and that microstructures with elliptical particles may have slightly higher stringer volume fractions than those with circular particles. The results also show that the maximum stringer length can increase substantially with increased rolling reduction for microstructures with elliptical particles along grain boundaries, and that the microstructures with higher-aspect-ratio elliptical particles may have higher stringer volume fraction and higher maximum stringer length. Near-surface numbers of particles and particle volume fractions also increase with increased rolling reduction. The results from application of the two-point correlation function show that the particle shape (i.e., circular or elliptical) may not have significant influence on the overall shapes of the correlation curves, and that the correlation curves tend to show higher peaks at short distance and then gradually decrease for microstructures with higher particle volume fractions and particles distributed along grain boundaries.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Field-Scale Lysimeter Studies of Glass and Cementitious Waste Forms at the Hanford Site - 20392

The Hanford site Integrated Disposal Facility (IDF) will receive waste forms from vitrification activities at the Hanford Waste Treatment and Immobilization Plant (WTP). The waste form inventory to be disposed of at the IDF will consist of vitrified low-activity waste (LAW) in glass forms and solidified (or encapsulated) secondary wastes in cementitious forms. The IDF is a near-surface burial facility located near Hanford's Waste Treatment and Immobilization Plant in the 200 East Area of the site's Central Plateau. An extensive set of laboratory experimental data has been collected to support IDF performance assessment calculations of the eventual degradation of waste forms and mobility of contaminants. This paper describes the start of a field experiment to generate waste-form performance data on a larger scale (tens of centimeters), over a longer duration (five years or more), and under field conditions representative of the IDF. Results from this study are expected to improve model descriptions of contaminant mobility, reduce uncertainties about the representativeness of laboratory results in the IDF performance assessment, improve stakeholder confidence in the safe disposal of treated waste at the IDF, and facilitate the adoption of informed facility designs with the potential to reduce operational costs. A lysimeter test facility near Hanford's 200 West Area has been repurposed to carry out long-term assessments of waste forms buried in sediments excavated from the IDF. The waste forms are buried in large drainage lysimeters, open caissons that are two meters in diameter and three meters deep. Waste forms are buried in up to six locations in each lysimeter. Samplers collect pore water and drainage water beneath the waste forms and air from the pore space adjacent to waste forms. Sensors measure temperature, soil water content, soil water tension, and drainage flux. One lysimeter containing cementitious waste forms and one containing glass waste forms have been completed, along with a control lysimeter (without waste forms). The cementitious waste forms are Cast Stone grout formulations using a liquid secondary waste simulant and a generic Hanford high-salt simulant, as well as a hydrated lime-based grout formulation using a liquid secondary waste simulant. Technetium-99 and iodine-127 were added as tracers to monitor contaminant mobility. Glass waste forms were fabricated in two formulations (LAWA44 and ORLEC28), with rhenium and molybdenum tracers to monitor waste form degradation. The predicted performance of the waste forms in the lysimeters was modeled prior to installation to determine waste form size, tracer concentration/activity, and locations of sensors and samplers. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Computational Design of a Simple Flyer Plate Launcher

The response of materials to shock loading is important to understand for a variety of applications. When shock physics emerged during and after WWII, direct explosive loading or explosively driven plate impact was the primary tool for these studies. Subsequent decades have seen the widespread use of large caliber guns for plate impact studies, laser-shock facilities and pulsed power facilities. INL currently lacks a gun suitable for plate impact or explosives casting and machining facilities; however, it does possess explosives use and handling capabilities. An option for performing plate impact experiments was needed, therefore continuum scale models were utilized to explore a few simple donor-acceptor explosive plane wave lens designs, one of which could be hand packed with plastic explosives to launch flyer plates. 2D simulations were performed to study different geometries in an effort to minimize the difference in shock arrival across the central portion of a small copper flyer plate. A shock wave arrival time difference under 50 ns across 50 percent of the center of the flyer was achieved with a few designs. This work summarizes the computational models and results.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Strontium Effects on the Formation of Iron-Intermetallic Phases in Secondary Al–9Si–0.6Fe Alloys

The presence and morphology of Fe-containing intermetallic phases affect the mechanical properties of aluminum alloys, especially in secondary Al–Si-based cast alloys. Although strontium (Sr) addition of 50 to 500 ppm is known to refine the needle-type eutectic silicon structure, the influence of Sr on the formation of Fe-intermetallic phases remains unclear. The present work investigates the combined additions of Sr and Mn to Al–9Si–0.6Fe–0.35Mg (All compositions are in wt pct except otherwise stated.) alloys on the formation of Fe-intermetallic phases at different solidification rates from ~ 1.5 to ~ 60 °C/s. Long and branched-type AlFeSi phase with size ranging from 50 to 120 µm are more common when solidified at the rate of 1.5 °C/s regardless of Sr and Mn additions. However, at the fast solidification rate of 60 °C/s, a 60 ppm Sr addition significantly reduced the average length of needle-shaped AlFeSi phase to less than 3 to 5 µm. Thermodynamic simulations have been performed using CALculation of PHAse Diagrams (CALPHAD) models to predict the formation of various phases and their possible interactions during solidification. The results indicated that the combination of a high solidification rate and about 60 ppm of Sr is beneficial to refining the δ-Al 3 FeSi 2 phase in Al–Si–Mg alloys containing 0.6 pctFe. As a result, this unexpected finding of Fe-intermetallic refinement by low Sr addition (~60 ppm) provides an important guide in designing secondary alloys for sustainable casting applications.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Interim Report on Mixing During the Casting of LEU-10Mo Plates in the Triple Plate Molds

LEU-10%Mo castings are commonly produced by down blending unalloyed HEU with a DU-12.7%Mo master-alloy. This work uses process modeling to provide insight into the mixing of the unalloyed uranium and U-Mo master alloy during melting and mold filling of a triple plate casting. Two different sets of situations are considered: (1) mixing during mold filling from a compositionally stratified crucible and (2) convective mixing of a compositionally stratified crucible during mold heating. The mold filling simulations are performed on the original Y-12 triple plate mold and the horizontal triple plate mold.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Physical and optical properties of the International Simple Glass

Abstract Radioactive waste immobilization is a means to limit the release of radionuclides from various waste streams into the environment over a timescale of hundreds to many thousands of years. Incorporation of radionuclide-containing wastes into borosilicate glass during vitrification is one potential route to accomplish such immobilization. To facilitate comparisons and assessments of reproducibility across experiments and laboratories, a six-component borosilicate glass (Si, B, Na, Al, Ca, Zr) known as the International Simple Glass (ISG) was developed by international consensus as a compromise between simplicity and similarity to waste glasses. Focusing on a single glass composition with a multi-pronged approach utilizing state-of-the-art, multi-scale experimental and theoretical tools provides a common database that can be used to assess relative importance of mechanisms and models. Here we present physical property data (both published and previously unpublished) on a single batch of ISG, which was cast into individual ingots that were distributed to the collaborators. Properties from the atomic scale to the macroscale, including composition and elemental impurities, phase purity, density, thermal properties, mechanical properties, optical and vibrational properties, and the results of molecular dynamics simulations are presented. In addition, information on the surface composition and morphology after polishing is included. Although the existing literature on the alteration of ISG is not extensively reviewed here, the results of well-controlled static alteration experiments are presented here as a point of reference for other performance investigations.

36 MATERIALS SCIENCE↗
DOE OSTI2018

On the Solidification and Structure Formation during Casting of Large Inserts in Ferritic Nodular Cast Iron

The graphite nodule count and size distributions for boiling water reactor (BWR) and pressurized water reactor (PWR) inserts were investigated by taking samples at heights of 2160 and 1150 mm, respectively. In each cross section, two locations were taken into consideration for both the microstructural and solidification modeling. The numerical solidification modeling was performed in a two-dimensional model by considering the nucleation and growth in eutectic ductile cast iron. The microstructural results reveal that the nodule size and count distribution along the cross sections are different in each location for both inserts. Finer graphite nodules appear in the thinner sections and close to the mold walls. The coarser nodules are distributed mostly in the last solidified location. The simulation result indicates that the finer nodules are related to a higher cooling rate and a lower degree of microsegregation, whereas the coarser nodules are related to a lower cooling rate and a higher degree of microsegregation. The solidification time interval and the last solidifying locations in the BWR and PWR are also different.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Multifrequency eddy-current detection of fast transient thermal signatures for in situ monitoring applications

Eddy-current (EC) nondestructive evaluation has a long history of use in a variety of ex situ defect monitoring applications because of its exquisite sensitivity to local material variations. Due to the relationship between a material's conductivity and its temperature, EC methods have also been used to investigate quasistatic, long-range temperature variations in casting applications. However, these techniques remain underutilized for the measurement of rapidly varying, spatially nonuniform temperature distributions. In this work, we construct a model system capable of generating repeatable temperature transients in steel plates and measure real-time eddy-current signals with millisecond time resolution and spatial resolution of the order of 1 mm. Using a combination of Multiphysics simulations, fast thermal imaging, and time-resolved holographic interferometry, we tease apart contributions to the eddy-current signals arising from temperature variations and transient plate deformation. Finally, we perform a systematic study in which we vary the plate thickness and the eddy-current excitation frequency to demonstrate that eddy-current techniques can provide information about a three-dimensional, time-varying, subsurface thermal distribution, which is inaccessible to the traditional thermal imaging techniques.

Rosenberg, Ethan R. [Lawrence Livermore National L↗
DOE OSTI2021

Creation of a prototype biomimetic fish to better understand impact trauma caused by hydropower turbine blade strikes

Biomimetic model organisms could be useful surrogates for live animals in many applications if the models have sufficient biofidelity. One such application is for use in field and laboratory tests of fish mortality associated with passage through hydropower turbines. Laboratory trials suggest that blade strikes are especially injurious and often causes mortality when fish are struck by thinner blades moving at higher velocities. Dose-response relationships have been created from these data, but the exact relationship between fish mortality and the actual forces enacted on fish during simulated blade strike testing remains unknown. Here, we describe the methods used to create a prototype biomimetic model fish composed of ballistic gelatin and covered with a surrogate skin to better approximate the biomechanical properties of a fish body. Frozen fish were scanned with high-fidelity laser scanners, and a 3D-printed, reusable mold was created from which to cast our gelatin model. Computed tomography scan data, imaged directly or taken from online data repositories, were also successfully used to create CAD models for use in additive manufacturing of molds. One 3-axis accelerometer was embedded into the gelatin to compare accelerometer data to dose-response data from previous laboratory research on live fish. The resulting model ( i.e. , Gelfish) had a statistically indistinguishable tissue durometer to that of real fish tissue and preliminary blade strike impact testing suggested its overall flexibility was similar to that of live fish. Gelfish was designed with biofidelity as its guiding principle and our results suggest initial experimentation was successful. Future research will include replication of initial Gelfish test results, quantitative measurement of model flexibility relative to real fish, and inclusion of surrogate skeletal structures to enhance biofidelity. Use of more sophisticated sensors would also better quantify the physical forces of blade strike impact and help determine how said forces correlate with rates of mortality observed during tests on live fish.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Shrinkage-induced deformations and creep of structural concrete: 1-year measurements and numerical prediction

Highlights: • Extensive experimental study on drying shrinkage, creep and microcracking of concrete • All specimens prepared from a single batch of ordinary-strength structural concrete • 1st year of measurements of (not only) non-uniformly drying beams with span up to 3-m • The database is downloadable from free-to-use research data repository • Modified MPS model for concrete creep used in blind prediction of all experiments The material models for creep and shrinkage operating on the material point level in FEM are usually intended for challenging complex applications and structures, where the average cross-sectional approach does not suffice. The identification of the growing number of material parameters induced by increasing model capabilities relies on very specific and narrow-oriented yet interconnected experiments which are scarce. The presented comprehensive experiments aim to provide a clearer image of the complicated interaction among the basic phenomena: drying, shrinkage, creep, and microcracking. The cornerstone of this ongoing research is a unique set of 30 partially-sealed unreinforced concrete beams with span 1.75–3.0 m subjected to drying. To minimize material variation, all specimens in this study were cast from a single batch of ordinary strength structural concrete with slag-blended binder. The resulting experimental database will be suitable both for validation and development of the constitutive models.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Imaging transient solidification behavior

Solidification processing offers the first opportunity to control microstructure, properties, and performance in metallic alloy components. Until recently, microstructural evaluations were limited to post-solidification characterization by destructive methods. We review the development of time-resolved, in situimaging techniques capable of capturing solid-liquid interfacial evolution in metallic alloys with high spatial and temporal resolution underdiverse solidification conditions relevant for applications ranging from conventional directional solidification, crystal growth, and casting,to welding and additive manufacturing. These experiments enable direct visualization of transient behaviors that would otherwise remain unknown, uniquely providinginsights into the physics that impact microstructure and defect development and strategies for microstructuralcontrol and defect mitigation. Understanding microstructural evolution and the characteristics that form under various solidification conditions is essential for the development of multiscale, experimentallyinformed predictive modeling. This is highlightedby solidification simulations that utilize in situmeasurements of solidification dynamics from state-of-the-art experimental techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Characterization of compositional variation and solidification condition on rapid solidification behavior of beta stabilized titanium

Rapid solidification (RS) is a field of study that has increased in importance due to the rise of additive manufacturing (AM) techniques. The breakdown of equilibrium at the solid-liquid interface results in an inability to use traditional solidification models that have been applied to great success in casting. As such, there is a current need for a high-throughput testing method to screen alloys at rapid solidification conditions without the significant cost for powder atomization. In this work, twin hammer splat quenching (SQ) is utilized and theoretically developed as a technique uniquely placed to test alloy systems for AM applications. Using analytical thermal spray models and numerical heat transfer simulations, the cooling rate and solidification conditions of splat quenching are compared across several parameters to evaluate the key parameters for generating cooling rates relevant to AM process. Once a framework for the cooling rates and relevancy of SQ are developed, SQ was used to process alloy compositions in the Ti5553 alloy space (AMS 7026) to study the formation of detrimental secondary phases occurring upon rapid quenching from the melt. A martensitic phase is found to occur at the lower end of the standard, but the composition listed in the standard were found to be safe. Finally, the rapid solidification behavior of Ti-5553 is evaluated by comparing splat quenching, laser welding, and plasma atomization that offer a wide window of solidification conditions. The segregation and solidification structure are analyzed and compared to models to provide a deeper understanding of the solidification behavior of beta stabilized titanium alloys.

Williamson, Christopher J.↗