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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Influence of Bridgman solidification on microstructures and magnetic behaviors of a non-equiatomic FeCoNiAlSi high-entropy alloy

The non-equiatomic FeCoNiAlSi alloy is prepared by the Bridgman solidification (BS) technique at different withdrawal velocities (V = 30, 100, and 200 μm/s). Various characterization techniques have been used to study the microstructure and crystal orientation. The morphological evolutions accompanying the crystal growth of the alloy prepared at different withdrawal velocities are nearly the same, from equiaxed grains to columnar crystals. The transition of coercivity is closely related to the local microstructure, while the saturation magnetization changes little at different sites. The coercivity can be significantly reduced from the equiaxed grain area to the columnar crystal area when the applied magnetic field direction is parallel to the crystal growth direction, no matter what is the withdrawal velocity. As a result, the alloy possesses magnetic anisotropy when the applied magnetic field is in different directions.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Influence of solidification structures on radiation-induced swelling in an additively-manufactured austenitic stainless steel

Metal additive manufacturing offers potential advantages for producing structural materials, such as austenitic stainless steels, in nuclear power systems. However, the microstructure developed during metal additive processing is notably different from the one developed in conventional processing, and the influence of the microstructural differences on performance in radiation environments has not been fully quantified. Using heavy ion irradiation and transmission electron microscopy, the radiation-induced swelling response of a laser powder-bed fusion-manufactured austenitic stainless steel was investigated at high doses. The influence of solidification-induced dislocation and precipitate structures was studied by comparing the radiation-induced swelling response of a 316L stainless steel in three microstructural states: as-fabricated, solution annealed, and fully recrystallized. Void swelling was approximately twice as pronounced in the as-fabricated state compared to post-processed states. In the framework of the rate theory for radiation effects, the higher swelling in the as-fabricated state can be explained by the strong sink bias for interstitial point defects exerted by the intermediate density of pre-existing dislocations. Void swelling was inhibited in the vicinity of pre-existing precipitates, but the density of precipitates in the as-fabricated material was not enough to compensate for the increase in swelling caused by dislocations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Solidification and crystallographic texture modeling of laser powder bed fusion Ti-6Al-4V using finite difference-monte carlo method

Laser powder bed fusion (LPBF) additive manufacturing makes near-net-shaped parts with reduced material cost and time, rising as a promising technology to fabricate Ti-6Al-4V, a widely used titanium alloy in aerospace and medical industries. However, LPBF Ti-6Al-4V parts produced with 67° rotation between layers, a scan strategy commonly used to reduce microstructure and property inhomogeneity, have varying grain morphologies and weak crystallographic textures that change depending on processing parameters. Here, this study predicts LPBF Ti-6Al-4V solidification at three energy levels using a finite difference-Monte Carlo method and validates the simulations with large-area electron backscatter diffraction (EBSD) scans. The developed model accurately shows that a <001> texture forms at low energy and a <111> texture occurs at higher energies parallel to the build direction but with a lower strength than the textures observed from EBSD. A validated and well-established method of combining spatial correlation and general spherical harmonics representation of texture is developed to calculate a difference score between simulations and experiments. The quantitative comparison enables effective fine-tuning of nucleation density (N 0 ) input, which shows a nonlinear relationship with increasing energy level. Future improvements in texture prediction code and a more comprehensive study of N 0 with different energy levels will further advance the optimization of LPBF Ti-6Al-4V components. These developments contribute a novel understanding of crystallographic texture formation in LPBF Ti-6Al-4V, the development of robust model validation and calibration pipeline methodologies, and provide a platform for mechanical property prediction and process parameter optimization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Sculpting 2D Crystals via Membrane Contractions before and during Solidification

When phospholipids crystallize within the otherwise fluid membranes of giant unilamellar vesicles, the resulting molecularly thin “2D” solids exhibit great variety in their morphology evolution. For example, within membranes containing moderate amounts of the crystallizing component, crystals grow with a fixed morphology depending on vesicle size. Conversely for membranes containing large amounts of the crystallizing species, we find small compact crystals on vesicles of all sizes. However, on large vesicles, growing crystals sprout flower petals that lengthen progressively. These behaviors result from two combined mechanisms: first, like other 2D solids, the shear rigidity of phospholipid crystals renders them intolerant to morphologies with nonzero Gaussian curvature. As a result and especially at elevated membrane tension, the cost of bending elasticity is reduced at the expense of line energy by the formation of flowers as opposed to compact crystals. Second, the composition-dependent tension rise during cooling relaxes via water permeation of the membrane with a time constant scaling as R2. The amount of crystal formed for a small decrease in temperature determines this composition-dependent increase in stress from thermal contractions versus solidification. Surface Evolver computations were motivated using the predicted tension evolution to develop a processing space that maps to experimental observations for initial and growing crystal morphology. Important variable groups are identified, including a scaled ratio of bending to line energy, a vesicle-size-independent group for membrane contractions, and a time constant for stress relaxation. Though processing stresses ultimately relax, the crystal morphology persists well beyond the processing window.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Evolution of dislocations during the rapid solidification in additive manufacturing

Materials processed by fusion-based additive manufacturing (AM) typically exhibit relatively high dislocation densities, along with cellular structures and elemental segregation. This representative structural feature significantly influences material performance; however, post-mortem microstructure characterizations of AM materials cannot capture the dynamic evolution of dislocations during the manufacturing process, thereby offering limited mechanism-based guidance for further advancing AM techniques and facilitating the qualification and certification of AM products. In this study, we conduct operando high-energy synchrotron X-ray diffraction experiments on wire-laser directed energy deposition of 316 L stainless steel. Through a unique configuration, our operando synchrotron experiments semi-quantitatively probe the dislocation density in solid phases and their dynamic changes during solidification and subsequent cooling. By integrating this advanced synchrotron technique with multi-physics simulation, in-situ neutron diffraction, and multi-scale electron microscopy characterization, our mechanistic study aims to elucidate the effects of rapid cooling and subsequent thermal cycling on the dislocation generation and evolution.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Electromagnetic levitation containerless processing of metallic materials in microgravity: rapid solidification

Space levitation processing allows researchers to conduct benchmark tests in an effort to understand the physical phenomena involved in rapid solidification processing, including alloy thermodynamics, nucleation and growth, heat and mass transfer, solid/liquid interface dynamics, macro- and microstructural evolution, and defect formation. Supported by ground-based investigations, a major thrust is to develop and refine robust computational tools based on theoretical and applied approaches. This work is accomplished in conjunction with experiments designed for precise model validation with application to a broad range of industrial processes.

42 ENGINEERING↗
DOE OSTI2024

Formation, chemical evolution and solidification of the dense liquid phase of calcium (bi)carbonate

Metal carbonates, which are ubiquitous in the near-surface mineral record, are a major product of biomineralizing organisms and serve as important targets for capturing anthropogenic CO 2 emissions. However, pathways of carbonate mineralization typically diverge from classical predictions due to the involvement of disordered precursors, such as the dense liquid phase (DLP), yet little is known about DLP formation or solidification processes. Using in situ methods we report that a highly hydrated bicarbonate DLP forms via liquid–liquid phase separation and transforms into hollow hydrated amorphous CaCO 3 particles. Acidic proteins and polymers extend DLP lifetimes while leaving the pathway and chemistry unchanged. Molecular simulations suggest that the DLP forms via direct condensation of solvated Ca 2+ •(HCO 3 – ) 2 complexes that react due to proximity effects in the confined DLP droplets. Furthermore, our findings provide insight into CaCO 3 nucleation that is mediated by liquid–liquid phase separation, advancing the ability to direct carbonate mineralization and elucidating an often-proposed complex pathway of biomineralization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Solidification cracking of laser melted commercial-purity tungsten

The high melting temperature of tungsten (W) makes it an attractive candidate for energy generation applications; however, its use is limited by its poor ductility at low temperatures. This limitation affects even melt-based additive manufacturing (AM) processes such as laser powder bed fusion (PBF-LB), with as-fabricated pure W exhibiting both longitudinal and transverse cracks. Metallurgical and processing factors that affect these cracks are still being explored. This work utilizes powderless single-tracks on pure W plates made over a range of power and velocity combinations in three unique PBF-LB setups: one with flowing argon, one with continuous vacuum, and an in situ high-speed synchrotron X-ray radiography setup. Each had different oxygen activities in their build environments. Longitudinal cracks with oxides appearing to exude from the crack were found for tracks deposited in a build environment with argon shield gas, while no such cracks were observed for builds conducted in vacuum. A calculation showed that direct oxygen ingress into the melt pool from the build environment is negligible when argon shield gas is present. Thus, incorporation of spatter is a likely mechanism for oxygen ingress into the melt pool. Radiography showed extensive keyholing, spatter generation, and crack formation at keyhole porosity. A heat transfer calculation showed the crack formation time was consistent with cooling below its ductile-to-brittle transition (DBT) temperature. This work identifies solidification cracking as a feasible mechanism in pure W beyond the well-known DBT related cracking.

Materials science↗
DOE OSTI2019

Numerical modeling of solid-cluster evolution applied to the nanosecond solidification of water near the metastable limit

Classical nucleation theory (CNT) is a promising way to predictively model the submicrosecond kinetics of phase transitions that occur under dynamic compression, such as the suite of experiments performed over the past two decades on the solidification of liquid water to the high-pressure ice VII phase. Myint et al. [Phys. Rev. Lett. 121, 155701 (2018)] presented the first CNT-based model for these types of rapid phase transitions, but relied on an empirical scaling parameter in their transient induction model to simulate the lag time that occurs prior to the onset of significant formation of ice VII clusters in the system. To build on that study, we model the liquid water–ice VII phase transformation using a numerical discretization scheme to solve the Zel’dovich–Frenkel partial differential equation, which is a fundamental CNT-based kinetic equation that describes the statistical time-dependent behavior of solid cluster formation. The Zel’dovich–Frenkel equation inherently accounts for transience in the nucleation kinetics and eliminates the need for the empirical scaling factor used by Myint et al. One major result of this research is that transience is found to play a relatively small role in the nucleation process for the dynamic-compression time scales of the liquid water–ice VII experiments being simulated. Instead, we show that it is possible to properly model the lag time using steady-state CNT by making small refinements to the interfacial free energy value. In conclusion, we have also developed a new dimensionless parameter that may be applied a priori to predict whether or not transient nucleation will be important in a given dynamic-compression experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Quantitative probing of the fast particle motion during the solidification of battery electrodes

Synchrotron x-ray tomography represents one of the most powerful imaging techniques that can visualize the three-dimensional microstructural complexity with a high spatial resolution. To date, however, the temporal resolution of this technique has been handicapped by the intrinsic limitations in the data acquisition speed and the lack of a suitable data processing method. The present study aims to fundamentally resolve this challenge by implementing a data analysis method that is based on differentiating discrete tomography reconstruction from a continuous scan reconstruction. With this methodological development, we capture and quantify the particle motion during the solidification of battery electrodes and reveal the statistics of the dynamically evolving motion in the drying process, which has been challenging to resolve. We discover that the particle motion exhibits a strong dependence on its geometric location within a drying electrode. Our results also imply that the final electrode quality can be controlled by balancing the solvent evaporation rate and the particle mobility in the region close to the drying surface.

25 ENERGY STORAGE↗
DOE OSTI2019

Response of solidification cellular structures in additively manufactured 316 stainless steel to heavy ion irradiation: an in situ study

In-core or cladding structural materials exposed to heavy ion irradiation often suffer serious irradiation-induced damages. Introducing defect sinks can effectively mitigate irradiation-induced degradation in materials. Here, we investigated the radiation response of additively manufactured 316 austenitic stainless steel with high-density solidification cellular structures via in situ Kr ++ irradiation at 400°C to 5dpa. The study shows that the trapped dislocations along with the cellular walls can serve as effective defect sinks, thus reduce dislocation loop density compared with the conventional coarse-grained counterparts. This study provides a positive step for the potential applications of radiation-resistant, additively manufactured steels in advanced nuclear reactors.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Atomic structure evolution during solidification of liquid niobium from ab initio molecular dynamics simulations

Atomic structure transitions of liquid niobium during solidification, at different temperatures from 3200 to 1500 K, were studied by using ab initio molecular dynamics simulations. The local atomic structure variations with temperature are investigated by using the pair-correlation function, the structure factor, the bond-angle distribution function, the Honeycutt–Anderson index, Voronoi tessellation and the cluster alignment methods. Our results clearly show that, upon quenching, the icosahedral short-range order dominates in the stable liquid and supercooled liquid states before the system transforms to crystalline body-center cubic phase at a temperature of about 1830 K.

Condensed matter↗
DOE OSTI2019

Phase field model of uranium carbide solidification through a combined KKS and orientation field approach

A Phase Field model is developed combining the Orientation Field approach to modeling solidification with the Kim, Kim, Suzuki (KKS) method of modeling binary alloys. These combined methods produce a model capable of simulating randomly oriented second phase dendrites with discrete control of the solid-liquid interface energy and thickness. The example system of carbon (C) in a liquid uranium (U) melt is used as a test for the model. The formation of uranium carbide (UC) within a liquid U melt is simulated for isothermal conditions and compares well with experiments.

Bair, Jacob L. (ORCID:0000000333273323)↗
DOE OSTI2021

Thermodynamic modeling of the Ti-Nb-Sn system and its preliminary applications in aging precipitation and solidification simulations

Abstract Gasping the thermodynamic and phase diagram of the materials being studied is essential for further guiding the development process, like composition design, heat treatment optimization and so on. Nb and Sn are common alloying elements in Ti-based biomedical alloys. In this work, the Ti-Nb-Sn system has been thermodynamically assessed based on experimental phase equilibria. A self-consistent thermodynamic description for the Ti-Nb-Sn system including two ternary compounds Ti 3 Nb 3 Sn 2 and Ti 3 NbSn has been obtained. Based on the comparison between the calculated and experimental phase equilibria, the reliability of the presently obtained thermodynamic description has been verified. The influence of Nb and Sn contents on the precipitation temperature and amount of hcp α -Ti phase in bcc β -(Ti, Nb) has been investigated based on thermodynamic calculations. Results show that the increase of Nb or Sn content in Ti-based alloys would significantly reduce the precipitation amount and transformation temperature of hcp α -Ti phase in bcc β -(Ti, Nb) and the influence of Nb content is more effective than that of Sn. The solidified phases in several as-cast alloys have been thermodynamically predicted based on Scheil solidification simulations. The presently developed thermodynamic description of the Ti-Nb-Sn system can serve as a sub-ternary one in the thermodynamic database for multicomponent Ti-based biomedical alloys.

Peng, Yingbiao↗
DOE OSTI2016

Solidification and Acceleration of Large Cryogenic Pellets Relevant for Plasma Disruption Mitigation

The technology for producing, accelerating, and shattering large pellets (before injection into plasmas) for disruption mitigation has been under development at the Oak Ridge National Laboratory for several years, including a system on DIII-D that has been used to provide some significant experimental results. The original proof-of-principle testing was carried out using a pipe gun injector cooled by a cryogenic refrig- erator (temperatures ~8-20 K) and equipped with a stainless steel tube to produce 16.5-mm pellets composed of either pure D 2 , pure Ne, or a dual layer with a thin outer shell of D 2 and core of Ne. Recently, significant progress has been made in the laboratory using that same pipe gun and a new injector that is an ITER test apparatus cooled with liquid helium. The new injector operates at ~5-8 K, which is similar to temperatures expected with cooling provided by the flow of supercritical helium on ITER. An alternative technique for producing/solidifying large pellets directly from a premixed gas has now been successfully tested in the laboratory. Also, two additional pellet sizes have been tested recently (nominal 24.4 and 34.0 mm diameters). With larger pellets, the number of injectors required for ITER disruption mitigation can be reduced, resulting in less cost and a smaller footprint for the hardware. An attractive option is longer pellets, and 24.4-mm pellets with a length/diameter ratio of ~3 have been successfully tested. Since pellet speed is the key parameter in determining the response time of a shattered pellet system to a plasma disruption event, recent tests have concentrated on documenting the speeds with different hardware configurations and operating parameters; speeds of ~100-800 m/s have been recorded. The data and results from laboratory testing are presented and discussed, and a simple model for the pellet solidification process is described.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Solidification Technologies for Radioactive and Chemical Liquid Waste Treatment - Final CRADA Report

This project, organized under DOE/NNSA's Global Initiatives for Proliferation Prevention program, joined Russian and DOE scientists in developing more effective solidification and storage technologies for liquid radioactive waste. Several patent applications were filed by the Russian scientists (Russia only) and in 2012, the technology developed was approved by Russia's Federal State Unitary Enterprise RADON for application throughout Russia in cleaning up and disposing of radioactive waste.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

High Temperature, High Pressure Equation of State: Solidification of Hydrocarbons and Measurement of Krytox Oil Using Rolling-Ball Viscometer Validation

The global consumption of oil and gas continues to rise and has led to the search and recovery of petroleum sources from reservoirs exhibiting increasingly high-temperature, high-pressure conditions. For example, ultra-deep petroleum formations found at depths of approximately 5 km or more, can exhibit pressure and temperature values as high as 240 MPa (35,000 psi) and 533 K (260°C). The hydrocarbons produced from these ultra-deep formations experience significant decreases in temperature and pressure from reservoir to platform conditions. Hence, it is highly desirable to develop accurate equation of state models (EOS) and fluid properties databases that covers the entire temperature and pressure ranges associated with this process to promote the efficient, safe, and environmentally responsible production from these reservoirs at extreme conditions. Currently available databases and EOS models are generally limited to approximately 69 MPa and do not correlate accurately when extrapolated to the extreme environments associated with ultra-deep reservoirs where temperatures can reach as high as 533 K and pressures up to 240 MPa. Despite recent exploration and production of petroleum from ultra-deep formations, there are major gaps in the databases for pure and mixture density and viscosity of hydrocarbons. These are the most important fluid properties that enable accurate booking of reserves as well as the design of size and equipment to safely bring these fluids to the platform. The overall objective of this project is to develop methodologies to provide crude oil thermodynamic and transport properties—including density, viscosity, and phase composition— at extreme temperature and pressure conditions. The knowledge of these crude oil properties reduces uncertainties associated with deep drilling and promotes safer and reliable access to domestic energy resources. This report is an extension of work reported in our first Technical Report Series (TRS) released July 31, 2012: High Temperature, High Pressure Equation of State Density Correlations and Viscosity Correlations (Tapriyal et al., 2012). New experimental data were obtained by utilizing density cell and rolling-ball viscometer (both designed by our team) rated up to 533 K and 275 MPa. This report focuses on the solidification of hydrocarbons at elevated temperatures and pressures and

02 PETROLEUM↗