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At least 1,063 records · Page 59

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Separation of High Purity Oxygenated Aromatics from Catalytic Fast Pyrolysis Organic Streams

Thermochemical conversion of lignocellulosic biomass offers an attractive route to produce fuels and chemicals. Specifically, catalytic fast pyrolysis (CFP) oils have been shown to contain a high concentration of oxygenated aromatics, which can be isolated as value-added co-products. Purification of oxygenated aromatics can be a viable pathway to more economically competitive biorefineries, yet the isolation of highly pure coproduct streams remains technically challenging due to the high chemical heterogeneity of thermochemical process steams. Here, we demonstrate an industrially scalable process for isolating phenol, a widely used precursor to plastics, from CFP oil. Importantly, we leverage standard industrial processes, such as distillation, liquid-liquid extraction, and crystallization, to achieve phenol with 97% purity. In addition, the primary distillation of the CFP oil yielded several other fractions that contain chemicals with the potential to be isolated (e.g. cyclic ketones, cresols, and guaiacols). This work provides a technically feasible path to high purity oxygenated aromatics that has the potential to offset fuel production costs in a biorefinery.

09 BIOMASS FUELS↗

NASA NTRS1990

Method of making single crystal fibers

Single crystal fibers are made from miniature extruded ceramic feed rods. A decomposable binder is mixed with powders to inform a slurry which is extruded into a small rod which may be sintered, either in air or in vacuum, or it may be used in the extruded and dried condition. A pair of laser beams focuses onto the tip of the rod to melt it thereby forming a liquid portion. A single crystal seed fiber of the same material as the feed rod contacts this liquid portion to establish a zone of liquid material between the feed rod and the single crystal seed fiber. The feed rod and the single crystal feed fiber are moved at a predetermined speed to solidify the molten zone onto the seed fiber while simultaneously melting additional feed rod. In this manner a single crystal fiber is formed from the liquid portion.

Westfall, Leonard J.↗

NASA NTRS1992

Identification and control of a multizone crystal growth furnace

This paper presents an intelligent adaptive control system for the control of a solid-liquid interface of a crystal while it is growing via directional solidification inside a multizone transparent furnace. The task of the process controller is to establish a user-specified axial temperature profile and to maintain a desirable interface shape. Both single-input-single-output and multi-input-multi-output adaptive pole placement algorithms have been used to control the temperature. Also described is an intelligent measurement system to assess the shape of the crystal while it is growing. A color video imaging system observes the crystal in real time and determines the position and the shape of the interface. This information is used to evaluate the crystal growth rate, and to analyze the effects of translational velocity and temperature profiles on the shape of the interface. Creation of this knowledge base is the first step to incorporate image processing into furnace control.

Batur, C.↗

NASA NTRS1988

Growth of needle-shaped crystals in the presence of convection

The motion of the freezing front between a needle-shaped crystal and a supercooled liquid is analyzed for situations where there is forced convection aligned with the crystal axis. It is shown that in the absence of capillary effects the shape of the crystal-melt interface is a paraboloid of revolution, similar to that found in situations where diffusion is the sole heat-transfer mechanism. A relation between the supercooling, the product of tip velocity and tip radius, and the strength of the flow is derived which reduces to the well-known Ivantsov theory in the absence of convection.

Saville, D. A.↗

NASA NTRS1993

Physical chemistry of the H2SO4/HNO3/H2O system - Implications for polar stratospheric clouds

Polar stratospheric clouds (PSCs) play a key role in stratospheric ozone depletion. Surface-catalyzed reactions on PSC particles generate chlorine compounds that photolyze readily to yield chlorine radicals, which in turn destroy ozone very efficiently. The most prevalent PSCs form at temperatures several degrees above the ice frost point and are believed to consist of HNO3 hydrates; however, their formation mechanism is unclear. Results of laboratory experiments are presented which indicate that the background stratospheric H2SO4/H2O aerosols provide an essential link in this mechanism: These liquid aerosols absorb significant amounts of HNO3 vapor, leading most likely to the crystallization of nitric acid trihydrate (NAT). The frozen particles then grow to form PSCs by condensation of additional amounts of HNO3 and H2O vapor. Furthermore, reaction probability measurements reveal that the chlorine radical precursors are formed readily at polar stratospheric temperatures not just on NAT and ice crystals, but also on liquid H2SO4 solutions and on solid H2SO4 hydrates. These results imply that the chlorine activation efficiency of the aerosol particles increases rapidly as the temperature approaches the ice frost point regardless of the phase or composition of the particles.

Molina, M. J.↗

DOE OSTI2025

Crystal nucleation rates in one-component Yukawa systems

Nucleation in the supercooled Yukawa system is relevant for addressing current challenges in understanding a range of crystallizing systems including white dwarf (WD) stars. We use both brute force and seeded molecular dynamics simulations to study homogeneous nucleation of crystals from supercooled Yukawa liquids. With our improved approach to seeded simulations, we obtain quantitative predictions of the crystal nucleation rate and cluster size distributions as a function of temperature and screening length. These quantitative results show trends towards fast nucleation with short-ranged potentials. They also indicate that for temperatures T > 0.9⁢T m , where T m is the melt temperature, classical homogeneous nucleation is too slow to initiate crystallization but transient clusters of ~100 particles should be common. As a result, we apply these general results to a typical WD model and obtain a delay of ~0.6 Gyr in the onset of crystallization that may be observable.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Phase Transformation Mechanism of Amorphous Calcium Phosphate to Hydroxyapatite Investigated by Liquid-Cell Transmission Electron Microscopy

Crystallization via phase transformation of a metastable precursor is a ubiquitous and effective strategy used by living systems to direct the growth of crystalline nanomaterials with remarkable functional properties. However, determining the exact process by which transformation occurs at the nanoscale is a difficult challenge. In this work, the recrystallization process of amorphous calcium phosphate (ACP) to hydroxyapatite (HAP) is explored by liquid-cell transmission electron microscopy. The effect of confinement in the liquid-cell is found to increase the size of ACP nanoparticles. In the presence of Mg 2+ , these large ACP nanoparticles transform to HAP by first dissolving from the interior to create a hollow structure, after which HAP forms preferentially on the surface and then subsequently in the bulk solution. We propose that the preferential dissolution within ACP particles is due to a change in the structure and/or chemistry of the ACP surface, likely associated with dehydration before crystallization of HAP. These results imply an important role of the confined environment of the liquid-cell in regulating the size of ACP particles, which then affects the surface structure and the detailed dissolution–recrystallization pathway. Moreover, we stress the key role of Mg 2+ in controlling HAP formation by stabilizing ACP via reduction in ACP solubility. This work provides a better understanding of the roles of additives and confinement during the phase transformation of ACP to HAP through dissolution and recrystallization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1980

The 3-5 semiconductor solid solution single crystal growth

Techniques used for liquid and vapor phase epitaxy of gallium indium arsenide are described and the difficulties encountered are examined. Results show that the growth of bulk III-V solid solution single crystals in a low gravity environment will not have a major technological impact. The float zone technique in a low gravity environment is demonstrated using cadmium telluride. It is shown that this approach can result in the synthesis of a class of semiconductors that can not be grown in normal gravity because of growth problems rooted in the nature of their phase diagrams.

Gertner, E. R.↗

NASA NTRS1972

A Comparison of Quartz Crystal Microbalance Measurements with Mass Spectrometer Determinations

An experimental program was undertaken in which mass accretion rates, as determined by a liquid nitrogen cooled quartz crystal microbalance, were compared with the mass flux rates, as determined by both a cycloidal type and a quadrupole type residual gas analyzer for five simple materials. The data indicate a high degree of correlation between these instruments insofar as the shape of the curves. There are large variations however among the absolute values.

Kruger, R.↗

NASA NTRS1997

First Single-Crystal Mullite Fibers

Ceramic-matrix composites strengthened by suitable fiber additions are being developed for high-temperature use, particularly for aerospace applications. New oxide-based fibers, such as mullite, are particularly desirable because of their resistance to high-temperature oxidative environments. Mullite is a candidate material in both fiber and matrix form. The primary objective of this work was to determine the growth characteristics of single-crystal mullite fibers produced by the laser-heated floating zone method. Directionally solidified fibers with nominal mullite compositions of 3Al2O3 2SiO2 were grown by the laser-heated floating zone method at the NASA Lewis Research Center. SEM analysis revealed that the single-crystal fibers grown in this study were strongly faceted and that the facets act as critical flaws, limiting fiber strength. The average fiber tensile strength is 1.15 GPa at room temperature. The mullite fibers exhibit superior strength retention (80 percent of their room temperature tensile strength at 1450 C). Examined by transmission electron microscopy, these mullite single crystals are free of dislocations, low-angle boundaries, and voids. In addition, they show a high degree of oxygen vacancy ordering. High-resolution digital images from an optical microscope furnish evidence of the formation of a liquid-liquid miscibility gap during crystal growth. These images represent the first experimental evidence of liquid immiscibility for these compositions and temperatures. Continuing investigation with controlled seeding of mullite single crystals is planned.

Source record↗

NASA NTRS2013

The Effects of Oxygen Fugacity on the Crystallization Sequence and Cr Partitioning of an Analog Y-98 Liquid

Interpreting the relationship between "enriched" olivine-phyric shergottites (e.g. NWA 1068/1110) and the "enriched" pyroxene-plagioclase shergottites (e.g. Shergotty, Los Angeles) is problematic. Symes et al. [1] and Shearer et al. [2]) proposed that the basaltic magma that crystallized to produce olivine-phyric shergottite NWA 1068/1110 could produce pyroxene-plagioclase shergottites with additional fractional crystallization. However, additional observations indicate that the relationship among the enriched shergottites may be more complex [1-3]. For example, Herd [3] concluded that some portion of the olivine megacrysts in this meteorite was xenocrystic in origin, seemingly derived from more reduced basaltic liquids. This conclusion may imply that a variety of complex processes such as magma mixing, entrainment, and assimilation may play important roles in the petrologic history of these meteorites. It is therefore possible that these processes have obscured the petrogenetic linkages between the enriched olivine-phyric shergottites and the pyroxene-plagioclase shergottites. As a first order step in attempting to unravel these petrologic complexities, this study focuses upon exploring the effect of fO2 on the crystallization history for an analog primitive shergottite liquid composition (Y98). Results from this work will provide a basis for reconstructing the record of fO2 in shergottites, its effect on both mineral chemistries and valence state partitioning, and a means for examining the role of crystallization on the petrologic linkages between olivine-phyric and pyroxene-plagioclase shergottites. A companion abstract [4] explores the behavior of V over this range of fO2.

Bell, A. S.↗

NASA NTRS1985

Future application of Czochralski crystal pulling for silicon

Czochralski (Cz) crystal pulling has been the predominant method used for preparing silicon single crystal for the past twenty years. The fundamental technology used has changed little. However, great strides have been made in learning how to make the crystals bigger and of better quality at ever increasing productivity rates. Currently charge sizes of 50 kg of polycrystal silicon are being used for production and crystals up to ten inches in diameter have been grown without major difficulty. The largest material actually being processed in silicon wafer form is 150 mm (6 inches) in diameter. Growing of crystals in a magnetic field has proved to be particularly useful for microscopic impurity control. Major developments in past years on equipment for Cz crystal pulling have included the automatic growth control of the diameter as well as the starting core of the crystal, the use of magnetic fields and around the crystal puller to supress convection, various recharging schemes for dopant control and the use of continuous liquid feed in the crystal puller. The latter, while far from being a reliable production process, is ideal in concept for major improvement in Cz crystal pulling. The Czochralski process will maintain its dominance of silicon crystal production for many years.

Matlcok, J. H.↗

NASA NTRS2004

Dense Liquid Droplets As a Step Source for the Crystallization of Lumazine Synthase

No abstract available

Gliko, O.↗

NASA NTRS2021

Physics and Chemistry of Te and HgTe-based Ternary Melts

Historically, the theoretical treatment of the liquid phases has always been more difficult and complicated than that for solid and gas phases. A liquid has no lattice structure as crystalline solids and the atoms/molecules in the liquid can migrate through it relatively rapidly. On the other hand, it is also interacting with many other atoms/molecules so that the simplifications of the kinetic theory of gases cannot be employed. For more complicated liquids, such as the liquids of high ionicity and those containing hydrogen bonds and electric dipoles, the understanding is far from complete. At the same time, accurate information on the physics and chemistry of semiconductor melts is needed for the quantitative descriptions of the process of crystal growth from melt. The pre-crystallization phenomena in the liquid phase are critical because the properties of the grown crystals depend on the state and structure of the melt as well as the thermal history of the melt during solidification process. However, the data on the liquid phase, such as thermophysical properties of semiconductor melts are scarce, especially for the HgTe-based II-VI ternary compound semiconductors because of their high vapor pressure and extreme toxicity. Analysis of the thermophysical properties of the melt can provide information about structural transitions of the melt during the solidification process. From a broader point of view, the structure of liquids is much more complicated than the crystalline solids, especially the relaxation behavior through different thermal histories. The theory of hetero-phase fluctuations of liquids is applicable to any many-body systems including condensed-matter physics, field theory, physics of nuclear-matter, cosmology, biology and even sociology. This book summarizes the physics and chemistry from the experimental measurements and theoretical analyses of phase diagram, thermodynamic properties, density, thermal conductivity, viscosity, and electrical conductivity on the binary, pseudo-binary and ternary melts of the most advanced IR-detector material systems of HgCdTe and HgZnTe as well as the analyses of these results. The main objectives of this study are: (1) to provide the phase diagrams and thermodynamic properties of Hg-Cd-Te and Hg-Zn-Te systems through quantitatively fitting the experimental data by assuming an associated solution model for the liquid phase, (2) to experimentally measure the thermophysical properties of the Hg-Cd-Te and Hg-Zn-Te melts, including density, viscosity, electrical conductivity and thermal conductivity as functions of temperature and composition and (3) to enhance the fundamental knowledge of hetero-phase fluctuations and relaxation phenomena in the melts and extend our understanding of the solidification process in order to interpret the experimental results of crystal growth so as to improve the melt growth processes of the compound semiconductor. The physics and chemistry of Te and HgTe-based ternary melts were explored through the studies of the structural transformation during melting, the supercooling during solidification, the relaxation phenomena after rapid cooling of the melts and the metal-semiconductor transition in the melts through the analyses of electrical conductivity and Lorenz number. An in-depth study on the thermophysical properties and their time-dependent structural dynamic processes taking place in the vicinity of the solid-liquid phase transition of the narrow homogeneity range HgTe-based ternary semiconductors as well as the analysis of the homogenization process in the melt will also be presented.

Thermophysical properties↗

NASA NTRSDate not supplied

Icing Physics Studies Using the 3D SIDRM Test Article: Ice Crystal Icing Analysis

In-flight icing is an important safety issue and is a factor that affects aircraft design and performance. Newer regulations are driving a need for improvements in airframe and engine icing simulation capability. Experimental data is required for the development of icing physics models and simulation validation. This paper presents the analysis of the ice crystal icing data subset from tests conducted in 2022 at the NASA Icing Research Tunnel that studied both supercooled liquid and ice-crystal icing. The test article that was utilized replicated 3D geometrical features of an inter-compressor duct and strut region of a turbofan engine. The surfaces of the Simulated Inter-compressor Duct Research Model (SIDRM) can be heated to simulate the warm surfaces of the turbofan inter-compressor duct. The test article is instrumented with pressure taps, heaters, heat flux gauges, and thermocouples, while a 3D laser scanner, cameras, and a weighing scale to measure ice mass were utilized to characterize the icing behavior. The aim of these tests was to generate ice accretions on the SIDRM test article under well-characterized icing conditions. To that end, ice crystal cloud characterization tests were conducted that provided cloud property values at the test section. The ice crystal accretion tests investigated how different test condition parameters impacted ice accretion size, location, and characteristics (such as physical attributes). A key finding was that a sufficiently high surface heat flux at the leading edge can provide a continuous supply of liquid melt to critical accretion zones downstream, resulting in elevated ice mass accretions. Another key finding was that warmer heater settings in critical accretion zones can suppress ice accretion. These findings are consistent with icing behavior observed in full-scale engine icing tests conducted previously at the NASA Glenn Research Center. Test runs investigating the contribution of liquid melt generated at the leading edge found that the melt can be transported downstream to critical accretion regions in two forms, via runback and splash. The form of melt supplied downstream affected accretion behavior and features. Sharkteeth-shaped ice accretions were generated at certain test conditions, a physical attribute that has been observed in full-scale engine icing tests. The ice accretion data will be used to develop and validate 3D computational engine icing tools, such as GlennICE, that predictively assesses the onset and growth of ice. One of the goals of the sponsoring NASA project is to develop simulation models and tools that can assist in the design and certification of engines for flight in icing conditions in a cost‑effective way.

ice crystal icing↗

NASA NTRSDate not supplied

Icing Physics Studies Using the 3D SIDRM Test Article: Ice Crystal Icing Analysis

ice crystal icing↗

DOE OSTI2021

Crystallization of the P 3 Sn 4 Phase upon Cooling P 2 Sn 5 Liquid by Molecular Dynamics Simulation Using a Machine Learning Interatomic Potential

We performed molecular dynamics simulations to study the crystallization of the P3Sn4 phase from P 2 Sn 5 liquid using a machine learning (ML) interatomic potential with desirable efficiency and accuracy. Our results capture the liquid properties of P 2 Sn 5 at 1300 K, which is well above the melting temperature. The phase separation and crystallization are observed when P 2 Sn 5 liquid is cooled down below 832 and 505 K, respectively. The simulation results are in good agreement with the experimentally observed phase transformation behaviors and provide useful insights into the complex nucleation and crystallization process at the details of atomistic scale. Our work also demonstrated that ML interatomic potentials based on neural network deep learning are robust and capable of accurately describing the energetics and kinetics of complex materials through molecular dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1986

Reactions occurring during the sulfation of sodium chloride deposited on alumina substrates

The reaction between solid NaCl and air containing 1 pct SO2 has been studied between 500 and 700 C. The reaction product, Na2SO4, forms not only on the surface of the NaCl but also on surrounding areas of the substrate due to the volatility of the NaCl at these temperatures. At the higher temperatures, the vapor pressure of NaCl is so high that the majority of the reaction product is distributed on the substrate. Above 625 C, the reaction product is a liquid solution of NaCl and Na2SO4 that exists only so long as NaCl is supplied from the original crystal source. Eventually, the liquid solidifies by constitutional solidification as the NaCl is converted to Na2SO4. While it exists, the liquid NaCl-Na2SO4 solution is shown to be highly corrosive to Al2O3 and, on a scale of Al2O3 growing on alloy HOS 875, particularly attacks the grain boundaries of the scale at preferred sites where chromium and iron oxides and sulfides rapidly develop. This is proposed as one mechanism by which NaCl deposition contributes to the initiation of low temperature hot corrosion.

Wu, C. S.↗