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At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

GaN MOCVD Growth on Native substrates for High Voltage (15-20 KV) Vertical Power Devices

This project aims to develop metalorganic chemical vapor deposition (MOCVD) homoepitaxy of GaN on native substrates with fast growth rate (15-20 μm/hr), low background doping (low-10 15 cm -3 ) and smooth surface morphology via comprehensive understanding of the crystal growth process including high quality GaN substrate development and surface preparation, impurity and native defects control, and their impacts on the breakdown field. The team successfully developed a new growth process by introducing the laser-assisted MOCVD (LA-MOCVD) process to address the limited growth rates of GaN in the traditional MOCVD process. Specifically, the use of the CO2 laser with lasing wavelength of 9.219 μm, the strong coupling between the laser beam with the ammonia (GaN MOCVD precursor) leads to efficient decomposition of NH3 which significantly increases the effective group V/III molar ratio and thus suppresses C impurity incorporation in MOCVD GaN. The reduction in C incorporation in LA-MOCVD GaN is especially prominent when the GaN growth rate is fast (> 10 μm/hr), which allows to develop thick GaN films with high crystalline quality and low controllable doping needed for vertical high power device applications. The results of this project lead to the demonstration of vertical GaN PN diodes with record breakdown voltage of ~ 8kV with high Baliga’s figure of merit.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1991

Protein crystal growth in space

Studies of protein crystal growth in the microgravity environment in space are described with special attention given to the crystal growth facilities and the techniques used in Space Shuttle experiments. The properties of large space-grown crystals of gamma interferon, elastase, lathyros ochrus lectin I, and few other proteins grown on various STS flights are described. A comparison of the microgravity-grown crystals with the bast earth-grown crystals demonstrated that the space-grown crystals are more highly ordered at the molecular level than their earth-grown counterparts. When crystallization conditions were optimized, the microgravity-grown protein crystals were larger, displayed more uniform morphologies, and yielded diffraction data to significantly higher resolution than their earth-grown counterparts.

Delucas, Lawrence J.↗
NASA NTRS2024

Post-Synthetic Modification of Yttria-Stabilized Zirconia Aerogels with Silica Coatings for Enhanced Thermal Stability

Maintaining high surface area and porosity at high temperatures is important when considering aerogels for use in thermal management systems. The mesoporous structure of aerogels results in extremely low thermal conductivity, making them lightweight, high performance insulating materials. Maintaining these properties requires innovative routes to suppress sintering and pore collapse as use temperatures rise. The current work aims to improve the pore structure stability of yttria-stabilized zirconia aerogels by the addition of a SiO 2 coating. The functionalization of surface hydroxyl groups by the addition of SiO 2 is hypothesized to mitigate condensation reactions, which are a driving force for shrinkage and pore structure collapse. Zirconia aerogels with 0, 10 and 30 mol% yttria (YO 1.5 ) additions were coated in a tetraethyl orthosilicate (TEOS) solution and exposed to temperatures up to 1200°C. Crystal structure, pore structure, and aerogel morphology were investigated to understand changes in aerogel thermal stability. The SiO 2 coating exhibited a greater influence on pore stability over yttria concentration, with specific surface area of the coated aerogels being twice that of the uncoated aerogels up to 1000°C. However, the presence of the SiO 2 coating promoted rapid sintering and densification at 1200°C, establishing an upper use temperature for SiO 2 and a need to develop other coating chemistries.

aerogel↗
NASA NTRSDate not supplied

Supercool(ed) Olivine Morphology in Shergottites Revealed Using X-ray Computed Tomography

Shergottites comprise most of the Martian meteorites and have a mafic to ultramafic bulk composition and a diversity of igneous textures [1].Olivine-phyric and poikilitic shergottites are sub-classes of shergottites and characterized by having a crystal cargo of large mafic minerals. Olivine-phyric shergottites have porphyritic textures of large olivinemegacrysts set in a fine-grained groundmass of pyroxene and maskelynite [2]. The poikilitic shergottites have assemblages of olivine chadocrysts poikilitically-enclosed by cm-sized pyroxene oikocrysts set in a coarse-grained groundmass of olivine and maskelynite [3,4]. The large crystal cargos in these samples are some of the first minerals to crystallize from their respective parent melts and have been extensively studied to understand shergottite petrogenesis. For instance, compositions of early-formed olivine and pyroxene in equilibrium with other phases (e.g. spinels) are used to establish depths, temperatures, and redox conditions of crystallization. There is increasing agreement that olivine megacrysts and poikilitic assemblages formed at or near the crust – mantle boundary (~85 km) before entrainment, ascent, and complete crystallization at or near the surface [1,3,4,6,7,8,9]. Additionally, linear olivine megacryst crystal size distribution (CSD)patterns and observations of polyhedral morphologies[8,9,10] are commonly interpreted to reflect steady-state crystallization under equilibrium conditions. However, oscillatory phosphorus zonation patterns in olivine from many samples indicate fluctuations in growth rates[10,12]. Recent studies measuring dendritic phosphorus zonation in terrestrial olivines [13] and experimental studies measuring how undercooling (undercooling is defined as the liquidus temperature minus the temperature being considered) controls changes in olivine morphology [14] have questioned the canonical view that large olivine megacrysts grow slowly and concentrically under equilibrium conditions. Here we present X-ray CT results from olivine-phyric and poikilitic shergottites that challenge the notion that early-formed minerals grew slowly under equilibrium conditions.

S A Eckley↗
NASA NTRS1987

Coupled morphological and convective instabilities in a microgravity environment

The role of convection during crystal growth from the melt is discussed in terms of dimensionless groups of material parameters and control variables. The limitations of such analyses and of models in which the crystal-melt interface is treated as a rigid boundary are reviewed. The interaction of thermosolutal convective instabilities with morphological instabilities is discussed for unidirectional solidification, emphasizing suppression of convective instabilities in a microgravity environment and/or a static magnetic field.

Sekerka, R. F.↗
DOE OSTI2024

Elucidate the Thermal Degradation Mechanism of Y6‐Based Organic Solar Cells by Establishing Structure‐Property Correlation

Abstract Organic solar cells (OSCs) achieved performance booming benefiting from the emerging of non‐fullerene acceptors, while inadequate device stability hampers their further application. At present, the prevalent belief attributes the inevitable thermal degradation of OSC device to morphological instability caused by excessive phase separation and crystallization in the active layer during device operation. However, it is inapplicable for state‐of‐art Y6‐based devices which strongly degrade before large‐scale morphology change. Herein, an alternative degradation mechanism is elucidated wherein molecular orientation change and demixing induced performance degradation in Y6‐based devices. Distinct from IT‐4F‐based counterpart, Y6‐based devices suffer severe thermal degradation dominated by open‐circuit voltage (V OC ) and fill factor (FF) losses. TheV OC loss is attributed to molecular orientation transition of polymer donors from edge‐on to face‐on, leading to a strong built‐in potential reduction and increase in non‐radiative loss due to energy level shifting. As forFFdecay, discontinuous acceptor phases result in electron mobility decrease by over orders of magnitude, originating from the increased molecular stacking and phase separation. This work reveals the thermal degradation mechanism for Y6‐based devices and correlates the photoelectric properties with morphology instability, which will offer guidance for improving the stability of high‐performance OSCs.

Chemistry↗
NASA NTRS1993

Conformational influence of the ribose 2'-hydroxyl group: crystal structures of DNA-RNA chimeric duplexes

We have crystallized three double-helical DNA-RNA chimeric duplexes and determined their structures by X-ray crystallography at resolutions between 2 and 2.25 A. The two self-complementary duplexes [r(G)d(CGTATACGC)]2 and [d(GCGT)r(A)d(TACGC)]2, as well as the Okazaki fragment d(GGGTATACGC).r(GCG)d(TATACCC), were found to adopt A-type conformations. The crystal structures are non-isomorphous, and the crystallographic environments for the three chimeras are different. A number of intramolecular interactions of the ribose 2'-hydroxyl groups contribute to the stabilization of the A-conformation. Hydrogen bonds between 2'-hydroxyls and 5'-oxygens or phosphate oxygens, in addition to the previously observed hydrogen bonds to 1'-oxygens of adjacent riboses and deoxyriboses, are observed in the DNA-RNA chimeric duplexes. The crystalline chimeric duplexes do not show a transition between the DNA A- and B-conformations. CD spectra suggest that the Okazaki fragment assumes an A-conformation in solution as well. In this molecule the three RNA residues may therefore lock the complete decamer in the A-conformation. Crystals of an all-DNA strand with the same sequence as the self-complementary chimeras show a morphology which is different from those of the chimera crystals. Moreover, the oligonucleotide does not match any of the sequence characteristics of DNAs usually adopting the A-conformation in the crystalline state (e.g., octamers with short alternating stretches of purines and pyrimidines). In DNA-RNA chimeric duplexes, it is therefore possible that a single RNA residue can drive the conformational equilibrium toward the A-conformation.

NASA Discipline Number 52-20↗
DOE OSTI2020

Impact of krypton irradiation on a single crystal tungsten: Multi-modal X-ray imaging study

Understanding microstructural and strain evolutions induced by noble gas production in the nuclear fuel matrix or plasma-facing materials is crucial for designing next generation nuclear reactors, as they are responsible for volumetric swelling and catastrophic failure. In this paper we describe a multimodal approach combining synchrotron-based nanoscale X-ray imaging techniques with atomic-scale electron microscopy techniques for mapping chemical composition, morphology and lattice distortion in a single crystal W induced by Kr irradiation. We report that Kr-irradiated single crystal W undergoes surface deformation, forming Kr containing cavities. Furthermore, positive strain fields are observed in Kr-irradiated regions, which lead to compression of underlying W matrix.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tailoring copper current collector roughness and crystallographic orientation to improve lithium plating

Secondary lithium metal batteries are of great interest due to a high theoretical energy density, but rechargeability is limited by the formation of lithium dendrites that lead to internal short circuits and catastrophic cell failure. Mitigating dendrites through uniform current distribution at the current collector is a promising solution to enabling long cycle life of lithium metal electrodes. Here, the impact of copper crystal orientation and roughness on electrochemically deposited lithium morphology is studied. For 50 cycles, the capacity retention from greatest to least followed polycrystalline copper 95 ± 1 % (MC-PC) ≥ 94.55 ± 0.01 % Cu (110) > 93.0 ± 0.4 % Cu(111) > 75.8 ± 0.1 % Cu(100). Cu(100) performed the worst in all cases with shorts occurring frequently before reaching 50 cycles. Cryo-scanning electron microscopy images showed that after 50 cycles, MC-PC Cu had the best lithium morphology, but at early cycles, Cu(111) formed the densest lithium layer. MC-PC Cu had the most uniform lithium nucleation which may have been caused by increased roughness relative to the single crystal samples. When polycrystalline Cu (F-PC) roughness was systematically controlled, the cumulative Coulombic efficiency increased from about 0.3–0.5 with increasing roughness from an Ra of about 10–40 nm. Lastly, plating rates were studied. Slower rates of 0.25 mA/cm 2 exhibited denser lithium morphology in all cases as compared to 0.5 and 1.0 mA/cm 2 , but the relative porosity of Li deposited on the different current collectors depended on the rate applied.

Copper↗
NASA NTRS1999

Numerical Modeling and In-Situ Observations of the Dynamics of the Solid/Liquid Interface Morphology During Directional Solidification of Alloys

The departure from interface planarity and the subsequent evolution to a periodic array of cells or dendrites is a fundamental process that characterizes most microstructures in solidified alloys. The growing demand for high quality alloys and semiconductor crystals requires a precise methodology to predict and subsequently control both the interface morphology and the distribution of impurities, additives, and phases in the grown crystal. Apart from its practical significance, the study of morphological evolution has also been viewed as a means to unearth a general paradigm for pattern formation in nature. A previously developed 2D numerical model for the solid/liquid interface tracking has been further refined and used to simulate the time-evolution of the perturbations on the interface. The dynamics of the local growth velocity, interface undercooling and solute concentration at the interface has been theoretically predicted by means of the numerical model for Al-Cu and Pb-Sn alloys. The model shows that perturbations with a wavelengths, lambda greater than a critical wavelength lambda(sub c) continue to grow in time whereas perturbations with lambda < lambda(sub c) cease to propagate. The model further predicts that under certain conditions perturbation can also propagate along the interface. Comparison of these predictions with existing theories of pattern formation and experimental results will be discussed.

Catalina, Adrian V.↗
NASA NTRS1991

Protein crystal growth in microgravity

A series of protein-crystal growth experiments were performed on Space Shuttle flight STS-26 in September 1988 and STS-29 in March 1989. These proteins had been studied extensively in crystal-growth experiments on earth prior to the microgravity experiments. For those proteins which produced crystals of adequate size, 3D intensity data sets with electronic area detector systems were collected. Comparisons show that the microgravity-grown crystals of these proteins are larger, display more uniform morphologies, and yield diffraction data to significantly higher resolutions. Analyses of the 3D data sets indicate that the space-grown crystals are more highly ordered at the molecular level than their earth-grown counterparts.

Snyder, Robert↗
NASA NTRS1985

Solutal Convection and Its Effects on Crystal Growth and Segregation in Binary and Pseudo-Binary System with Large Liquidus-Solidus Separation

This research program is composed of theoretical and experimental studies of solutal convection and its effects on crystal growth and segregation in binary and pseudo-binary systems with large liquidus-solidus separation. The theoretical program has resulted in the development of a transient simulation of the growth of concentrated alloys in microgravity and has been used to study the dynamics of GeSi, PbSnTe, HgCdTe growth. Finite element analysis has also been developed for studying the interactions of buoyancy-driven convection in the melt caused by temperature and concentration variations with melt-solid interface morphology and alloy segregation in the grown crystal. These calculations are being compared directly to experimental measurements of segregation and interface shape for GeSi growth and GaGe growth. The results for SiGe indicate that careful design of the thermal system can result in almost diffusion-controlled growth on Earth because of the stablizing influence of the concentration gradient ahead of the solidification front.

Brown, R. A.↗
NASA NTRS1993

Recent results and new hardware developments for protein crystal growth in microactivity

Protein crystal growth experiments have been performed on 16 space shuttle missions since April, 1985. The initial experiments utilized vapor diffusion crystallization techniques similar to those used in laboratories for earth-based experiments. More recent experiments have utilized temperature induced crystallization as an alternative method for growing high quality protein crystals in microgravity. Results from both vapor diffusion and temperature induced crystallization experiments indicate that proteins grown in microgravity may be larger, display more uniform morphologies, and yield diffraction data to significantly higher resolutions than the best crystals of these proteins grown on earth.

Delucas, L. J.↗
NASA NTRS1992

Vapor transport and crystal growth of GeSe under normal and high acceleration

Physical vapor transport experiments on GeSe in the presence of 2 atm xenon and for a nominal temperature difference of 600-500 C were performed under 1 g, 5 g, and 10 g acceleration conditions. Under high acceleration and destabilizing conditions, the GeSe crystals are generally larger than those under 1 g, stabilizing, and up to three orders of magnitude larger in surface area than those under 1 g, destabilizing conditions. The mass transport rates of the 5 g and 10 g destabilizing experiments are considerably greater than those of the 10 g, stabilizing, and 1 g experiments. The observed increase in mass flux (under destabilizing conditions) with acceleration is significantly greater than the anticipated dependence (mass flux proportional to g exp 1/4) for laminar, boundary-layer driven free convection. In view of the considerable convection under high acceleration, destabilizing conditions, the surface morphology and bulk crystallinity of the large crystal platelets are unexpectedly good.

Wiedemeier, H.↗
DOE OSTI2020

Conjugated Polymer Controlled Morphology and Charge Transport of Small-Molecule Organic Semiconductors

In this study, we report an efective approach to tune the crystallization, microstructure and charge transport of solution-processed organic semiconductors by blending with a conjugated polymer additive poly(3-hexylthiophene) (P3HT). When 6,13-bis(triisopropylsilylethynyl) pentacene (TIPS pentacene) was used as a model semiconductor material to mix with diferent amount of P3HT, their intermolecular interactions led to distinctive TIPS pentacene flm morphologies, including randomly-oriented crystal ribbons, elongated needles with enhanced long-range order, and grasslike curved microwires with interlinkages. Each type of morphology was found to further correlate to considerably diferent charge transport and device performance. As compared to pristine TIPS pentacene devices, bottom-gate, top-contact OTFTs with 2% in weight P3HT additive showed a 2-fold and 5-fold improvement of average feld-efect mobility and performance consistency (defned as the ratio of average mobility to the standard deviation), respectively. The improvement in transistor electrical performance can be attributed to the combined efect of enhanced crystal orientation and uniformity, as well as increased areal coverage. This work can be applied beyond the particular example demonstrated in this study and to tune the charge transport of other small-molecule organic semiconductors in general.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1998

The Effects of Ground and Space Processing on the Properties of Organic, Polymeric, and Colloidal Materials

In recent years, a great deal of interest has been directed toward the use of organic materials in the development of high-efficiency optoelectronic and phototonic devices. There is a myriad of possibilities among organic materials which allow flexibility in the design of unique structures with a variety of functional groups. The use of nonlinear optical (NLO) organic materials as thin film wave-guides allows full exploitation of their desirable qualifies by permitting long interaction lengths and large susceptibilities allowing modest power input. There are several methods in use to prepare thin films such as Langmuir-Blodgett (LB) and self-assembly techniques, vapor deposition, growth from sheared solution or melt, and melt growth between glass plates. Organic-based materials have many features that make them desirable for use in optical devices, such as high second-and third-order nonlinearity, flexibility of molecular design, and damage resistance to optical radiation. However, their use in devices has been hindered by processing difficulties for crystals and thin films. We discuss the potential role of microgravity processing of a few organic and polymeric materials. It is of interest to note how materials with second-and third-order NLO behavior may be improved in a diffusion-limited environment and ways in which convection may be detrimental to these materials. We focus our discussion on third-order materials for all-optical switching, and second-order materials for frequency conversion and electrooptics. The goal of minimizing optical loss obviously depends on processing methods. For solution-based processes, such as solution crystal growth and solution photopolymerization, it is well known that thermal and solutal density gradients can initiate buoyancy-driven convection. Resultant fluid flows can affect transport of material to and from growth interfaces and become manifest in the morphology and homogeneity of the growing film or crystal. Likewise, buoyancy-driven convection can hinder production of defect-free, high-quality crystals or films during crystal and film growth by vapor deposition.

Frazier, Donald O.↗
NASA NTRS1987

Petrov-Galerkin methods for natural convection in directional solidification of binary alloys

A Petrov-Galerkin finite element method is presented for calculation of the steady, axisymmetric thermosolutal convection and interface morphology in a model for vertical Bridgman crystal growth of nondilute binary alloys. The Petrov-Galerkin method is based on the formulation for biquadratic elements developed by Heinrich and Zienkiewicz and is introduced into the calculation of the velocity, temperature and concentration fields. The algebraic system is solved simultaneously for the field variables and interface shape by Newton's method. The results of the Petrov-Galerkin method are compared critically with those of Galerkin's method using the same finite element grids. Significant improvements in accuracy are found with the Petrov-Galerkin method only when the mesh is refined and when the formulation of the residual equations is modified to account for the mixed boundary conditions that arise at the solidification interface. Calculations for alloys with stable and unstable solute gradients show the occurrence of classical flow transitions and morphological instabilities in the solidification system.

Adornato, Peter M.↗