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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Formation Mechanism of Stray Grain of Nickel-Based Single-Crystal Superalloy Under a High Magnetic Field During Directional Solidification

We investigate the formation mechanism of stray grain of nickel-based single-crystal superalloy under a high magnetic field. It was shown that the high magnetic field induced the formation of stray grains on the side that the dendrite diverges the wall. In addition, results showed a sloping solid/liquid interface and a further increased sloping magnitude under a high magnetic field. Further, the formation process of stray grain in the high magnetic field is analyzed in detail.

36 MATERIALS SCIENCE↗
DOE OSTI2022

ExaCA: A performance portable exascale cellular automata application for alloy solidification modeling

Modeling the as-solidified grain structures that form during alloy processing is a critical component in understanding process-property relationships, particularly for additive manufacturing (AM) where grain structure is very sensitive to processing conditions. While cellular automata (CA)-based models have proven able to predict aspects of microstructure for several alloys and AM process conditions, long run times and large resource sets required limit the utility and the problem size to which existing CA models can be applied. As part of the ExaAM project, an initiative within the Exascale Computing Project (ECP) to develop, test, and optimize an exascale-capable coupled and self-consistent model of AM parts, we developed ExaCA (https://github.com/LLNL/ExaCA) for the liquid–solid phase transformation in the wake of AM melt pools. The CA-based code is parallelized using MPI and the Kokkos programming model, the latter enabling simulation on both CPUs and GPUs within a single-source implementation. Here, we detail the steps taken to transform a baseline, MPI-based CA code into one that is performant on CPUs and GPUs. Performance testing of ExaCA on Summit (a pre-exascale machine at Oak Ridge National Laboratory) was used to quantify CPU–GPU speedup comparing with equal numbers of nodes. Testing showed comparable CPU performance to the MPI-only CA code and a 5-20x speedup when running AM-based test problems using GPUs. The improved performance of CA through GPU utilization and the performance portable nature of ExaCA will enable accurate part-scale modeling by harnessing the power of current and future generations of high performance computing resources. Future work will include improving the strong scaling of ExaCA on GPUs by reducing load imbalance associated with the locality of the problem, and continuing performance optimization across exascale hardware.

36 MATERIALS SCIENCE↗
DOE OSTI2014

X-ray nano-diffraction study of Sr intermetallic phase during solidification of Al-Si hypoeutectic alloy

The evolution of strontium (Sr) containing intermetallic phase in the eutectic reaction of Sr-modified Al-Si hypoeutectic alloy was studied with high energy synchrotron beam source for nano-diffraction experiments and x-ray fluorescence elemental mapping. Contrary to popular belief, Sr does not seem to interfere with the Twin Plane Re-entrant Edge (TPRE) growth mechanism of eutectic Si, but evolves as the Al{sub 2}Si{sub 2}Sr phase during the eutectic reaction at the boundary between the eutectic Si and Al grains.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Sequential lateral solidification of silicon thin films on low-k dielectrics for low temperature integration

We present the excimer laser crystallization of amorphous silicon on a low dielectric constant (low-k) insulator for very large scale integration monolithic 3D integration and demonstrate that low dielectric constant materials are suitable substrates for 3D integration through laser crystallization of silicon thin films. We crystallized 100 nm amorphous silicon on top of SiO{sub 2} and SiCOH (low-k) dielectrics, at different material thicknesses (1 μm, 0.75 μm, and 0.5 μm). The amorphous silicon crystallization on low-k dielectric requires 35% less laser energy than on an SiO{sub 2} dielectric. This difference is related to the thermal conductivity of the two materials, in agreement with one dimensional simulations of the crystallization process. We analyzed the morphology of the material through defect-enhanced microscopy, Raman spectroscopy, and X-ray diffraction analysis. SEM micrographs show that polycrystalline silicon is characterized by micron-long grains with an average width of 543 nm for the SiO{sub 2} sample and 570 nm for the low-k samples. Comparison of the Raman spectra does not show any major difference in film quality for the two different dielectrics, and polycrystalline silicon peaks are closely placed around 517 cm{sup −1}. From X-ray diffraction analysis, the material crystallized on SiO{sub 2} shows a preferential (111) crystal orientation. In the SiCOH case, the 111 peak strength decreases dramatically and samples do not show preferential crystal orientation. A 1D finite element method simulation of the crystallization process on a back end of line structure shows that copper (Cu) damascene interconnects reach a temperature of 70 °C or lower with a 0.5 μm dielectric layer between the Cu and the molten Si layer, a favorable condition for monolithic 3D integration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

An experimental verification of a criterion for forming metastable phases in containerless solidification

On the thermodynamic condition for forming a metastable phase from undercooled melt in a containerless state, we had proposed a criterion that crystals will preferentially form if they have a smaller entropy of fusion than the entropy of fusion of equilibrium crystals (Kuribayashi et al., Mater. Sci. Eng., A 449–451, 675 (2007)). This criterion is proposed for being applied to materials that exhibit a faceted interface, such as semiconductors and oxides. However, no experimental data that support this criterion have been obtained. From this point, we used an aerodynamic levitator as a tool for forming metastable phases from undercooled melt and verified the above-mentioned criterion using LnFeO{sub 3} (Ln: lanthanide and Y) as the model material. In addition, the condition for double recalescence, which corresponds to forming metastable phases and stable phases, was discussed in terms of competitive 2D isomorphic nucleation of the metastable phase and 3D polymorphic nucleation of the stable phase.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Thermodynamic properties and solidification kinetics of intermetallic Ni{sub 7}Zr{sub 2} alloy investigated by electrostatic levitation technique and theoretical calculations

The thermodynamic properties, including the density, volume expansion coefficient, ratio of specific heat to emissivity of intermetallic Ni{sub 7}Zr{sub 2} alloy, have been measured using the non-contact electrostatic levitation technique. These properties vary linearly with temperature at solid and liquid states, even down to the obtained maximum undercooling of 317 K. The enthalpy, glass transition, diffusion coefficient, shear viscosity, and surface tension were obtained by using molecular dynamics simulations. Ni{sub 7}Zr{sub 2} has a relatively poor glass forming ability, and the glass transition temperature is determined as 1026 K. The inter-diffusivity of Ni{sub 7}Zr{sub 2} alloy fitted by Vogel–Fulcher–Tammann law yields a fragility parameter of 8.49, which indicates the fragile nature of this alloy. Due to the competition of increased thermodynamic driving force and decreased atomic diffusion, the dendrite growth velocity of Ni{sub 7}Zr{sub 2} compound exhibits double-exponential relationship to the undercooling. The maximum growth velocity is predicted to be 0.45 m s{sup −1} at the undercooling of 335 K. Theoretical analysis reveals that the dendrite growth is a diffusion-controlled process and the atomic diffusion speed is only 2.0 m s{sup −1}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Experimental Investigation of Melting and Solidification Processes of Phase Change Material Heat Exchanger

Rapid development and validation of PCM embedded heat exchangers (PCM-HX) concepts warrant a purpose-built test bench. This paper describes a test facility built for testing various PCM-HX configurations and phase change temperatures that will serve to validate the performance of novel PCM-HX designs. The entire test rig is placed in a temperature-controlled environmental chamber. Inside the PCM-HX containers, up to 48 T-type thermocouples can be spatially distributed on and around the tubes depending on the HX type to capture the phase change process over time. In this paper, a straight tube embedded in PCM having a phase change temperature of 37°C in cylindrical containers is tested. The PCM-HX uses water as an in-tube working fluid. Based on the measured data, the energy balance is analyzed, and its temperature distribution is presented. Here, the maximum deviation between the predicted stored energy and the energy stored calculated from experimental measurements is less than 5%.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Liquid Condensation and Solidification Behavior of Hydrogen Isotopes in Foams

A foam shell, 1.2 mm outer diameter with a 35 μm thick foam layer, is used to quickly form a solid deuterium layer for ICF. Figures show the visible light microscope image and a corresponding schematic representation. In each case, images show the empty foam shell, with the dark and light patches due to the foam imperfections; the foam shell with liquid deuterium filling the foam (in this case, the liquid level exceeds the foam level because the deuterium will shrink when it freezes); and an image of the shell taken 10 minutes after the center image, after the temperature was reduced by 2 K to freeze the deuterium. This image shows that the majority of the solid deuterium has no observable defects, with the exception of the isolated crystal that formed on the foam surface. The next step is to get the correct level of liquid and cooling rate to prevent the extra crystal on the surface. In contrast, typical ICF DT fuel layers require ~13 hours to solidify in order to be defect free with a success rate of approximately 20%.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Foam and Unreacted Material Reduction in Magnesium Oxysulfate for SRPPF Waste Solidification

A magnesium oxysulfate (MOS) grout formulation has been proposed to solidify the liquid effluent from the Savannah River Plutonium Processing Facility (SRPPF) Aqueous Recovery System (ARS). This formulation uses a combination of light-burnt MgO, anhydrous MgSO 4 , and dead-burnt MgO resulting in a grout with good mixability and acceptable density. The setting time for the grout is within the operational limits of the SRPPF facility and the leachate pH is ~9.4, which is within the assumed pH range of the brine from the Waste Isolation Pilot Plant (WIPP). When first tested at the 1-gallon small-scale and 55-gallon full-scale, there was a significant foam layer that raised concerns of a nonhomogeneous final form. A nonhomogeneous mixture could have variable density throughout the waste form and therefore allow for unequal shielding. To reduce the potential for unequal shielding in the final form, a series of foam reduction tests were carried out and a final formulation of 28 wt% light burnt MgO, 10 wt% MgSO 4 , and 62 wt% dead burnt MgO was used to remove the foam in under two hours while still maintaining a mix that has an acceptable density, mix time, peak temperature, and set time.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

The Polymers for Liquid Radioactive Waste Solidification: a Lost Chapter in the History of Engineering or a Step Forward? - 13529

Ideas on the application of polymers for the liquid radioactive waste immobilization go a way back, and the first studies in the area were published 30-40 years ago. One should admit that regardless of the fairly large number of publications appeared in the past years currently the interest in this work came down greatly. It was the successful assimilation and worldwide implementation of the LRW cementation technology caused a slump in the interest in polymers. But today it's safe to say that the situation slowly changes, particularly due to the market appearance of the high-tech polymers manufactured by Nochar Company, and unique properties of these polymers gradually raise the demand in various countries. The results of multiple experiments performed with the simulated solutions have passed the comprehensive tests with actual waste. The economic effect from the implementation of the new technology is defined by the volume reduction of waste coming onto the repository, by the decline in the cost of transportation and of the repository construction on account of cutting down the construction volume. Interesting results have been obtained during the search for the technical decisions that would allow using the polymer materials in the processing technology of the industrial toxic waste. One more promising area of the possible application of polymers should be pointed out. It is the application of polymer materials as the assets for the emergency damage control when the advantages of the polymers become obvious. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

Super oxidation and solidification of organic solvents, polycyclic aromatic hydrocarbons and pesticides at an abandoned chemical factory site

Large quantities of organic chemical such as VOCs, SVOCs and POPs were found in the soil of land at an abandoned Chemical Plant. Technology of super oxidation was applied to the soil for cleanup. Fenton process was utilized to treat soil contaminated heavily by BHC, benzene, chlorobenzene, dichlorobenzene, hexachlorobenzene, dichloroethane, dichloropropane, trichlorobenzene and dichloroether, etc. Super oxidation was coupled with method of stabilization for this case to enhance the remediation effect, which proved to be successful. Concentration of concerned pollutants was brought down below the national regulation level by approximately 8 folds. To make the treated soil strong and effective layer preventing pollutants breaking through, Iron powder was mixed in the soil, forming PBR (Permeable Barrier Reactor), to lower the risk to human health. The site after enhanced super oxidation above was totally safe to be developed into a residential community and/or commercial area. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Waste Form Development for Solidification of Liquid Secondary Wastes to Support Hanford Direct Feed Low Activity Waste Vitrification - 17484

The US Department of Energy/Office of River Protection DOE/ORP has funded a program led by Washington River Protection Solutions (WRPS) to develop and test cementitious waste forms for immobilization of liquid secondary waste (LSW) at the Hanford site in Southeastern Washington State. The LSW comprises a concentrated brine from processing liquid effluents at Hanford's Effluent Treatment Facility. The liquid effluents include condensates from the 242-A tank waste evaporator and future offgas condensates from the Low Activity Waste (LAW) Vitrification Facility. To facilitate waste form formulation development and testing, WRPS developed LSW simulants and engaged subject matter experts at the Savannah River National Laboratory (SRNL) and Pacific Northwest National Laboratory (PNNL). This paper describes results of recent work done to develop and test a grout formulation tailored to address the elevated sulfate levels in Hanford LSW. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗