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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Effects of transverse temperature field nonuniformity on stress in silicon sheet growth

Stress and strain rate distributions are calculated using finite element analysis for steady-state growth of thin silicon sheet temperature nonuniformities imposed in the transverse (sheet width) dimension. Significant reductions in residual stress are predicted to occur for the case where the sheet edge is cooled relative to its center provided plastic deformation with high creep rates is present.

Mataga, P. A.↗
NASA NTRS1992

Large scale crystallization of protein pharmaceuticals in microgravity via temperature change

The major objective of this research effort is the temperature driven growth of protein crystals in large batches in the microgravity environment of space. Pharmaceutical houses are developing protein products for patient care, for example, human insulin, human growth hormone, interferons, and tissue plasminogen activator or TPA, the clot buster for heart attack victims. Except for insulin, these are very high value products; they are extremely potent in small quantities and have a great value per gram of material. It is feasible that microgravity crystallization can be a cost recoverable, economically sound final processing step in their manufacture. Large scale protein crystal growth in microgravity has significant advantages from the basic science and the applied science standpoints. Crystal growth can proceed unhindered due to lack of surface effects. Dynamic control is possible and relatively easy. The method has the potential to yield large quantities of pure crystalline product. Crystallization is a time honored procedure for purifying organic materials and microgravity crystallization could be the final step to remove trace impurities from high value protein pharmaceuticals. In addition, microgravity grown crystals could be the final formulation for those medicines that need to be administered in a timed release fashion. Long lasting insulin, insulin lente, is such a product. Also crystalline protein pharmaceuticals are more stable for long-term storage. Temperature, as the initiation step, has certain advantages. Again, dynamic control of the crystallization process is possible and easy. A temperature step is non-invasive and is the most subtle way to control protein solubility and therefore crystallization. Seeding is not necessary. Changes in protein and precipitant concentrations and pH are not necessary. Finally, this method represents a new way to crystallize proteins in space that takes advantage of the unique microgravity environment. The results from two flights showed that the hardware performed perfectly, many crystals were produced, and they were much larger than their ground grown controls. Morphometric analysis was done on over 4,000 crystals to establish crystal size, size distribution, and relative size. Space grown crystals were remarkably larger than their earth grown counterparts and crystal size was a function of PCF volume. That size distribution for the space grown crystals was a function of PCF volume may indicate that ultimate size was a function of temperature gradient. Since the insulin protein concentration was very low, 0.4 mg/ml, the size distribution could also be following the total amount of protein in each of the PCF's. X-ray analysis showed that the bigger space grown insulin crystals diffracted to higher resolution than their ground grown controls. When the data were normalized for size, they still indicated that the space crystals were better than the ground crystals.

Long, Marianna M.↗
DOE OSTI2022

Understanding radiation effects in friction stir welded MA956 using ion irradiation and a rate theory model

We report an outstanding challenge in the manufacturing and joining of oxide dispersion strengthened steels is retaining the nanofeatures in the alloy throughout the fabrication and welding process. MA956 was friction stir welded with two different sets of welding parameters, resulting in a medium and high heat input. After welding, 5 MeV Fe ++ ion irradiations were performed at doses ranging from 50 to 200 dpa in the temperature range of 400 to 500°C. Post-irradiation characterization was performed with scanning transmission electron microscopy and energy-dispersive x-ray spectroscopy to investigate the Y-Al-O dispersoids, voids, and dislocations. After welding, the dispersoid microstructure coarsened, resulting in fewer and larger dispersoids regardless of heat input. After irradiation, the dispersoid behavior in the welded material was sensitive to temperature, exhibiting growth behavior attributed to Ostwald coarsening at 500 °C but a mixture of nucleation and more muted growth at 400 and 450 °C, attributed to competing mechanisms of radiation-enhanced diffusion and Ostwald coarsening. Void swelling correlated to heat input; being more prevalent in the welded conditions occurring at lower doses and in higher values relative to the base material. The low values of swelling despite microstructure coarsening caused by welding demonstrate the excellent swelling resistance of MA956, even after welding with the highest swelling values of 0.5% noted in the stir zone high heat input condition at 450 °C, 200 dpa. The dislocation behavior was inconsistent: the strongest trend was that network density was higher for welded versus base material, and an increase in loop diameter with temperature was observed. A rate theory model based on the observed microstructure suggests at high temperature interstitial loss to sinks was more likely to be dominant compared to mutual annihilation via point defect recombination, because of an increase of the radiation diffusion coefficient with temperature regardless of initial welded microstructure.

36 MATERIALS SCIENCE↗
NASA NTRS1989

In situ transmission electron microscopy study on the epitaxial growth of CoSi2 on Si(111) at temperatures below 150 C

This paper reports an in situ transmission electron microscopy study on the epitaxial growth of CoSi2 on Si(111) from a 10-nm-thick amorphous mixture of Co and Si in the ratio 1:2, which was formed by codeposition of Co and Si near room temperature. Nuclei of CoSi2 are observed in the as-deposited film. These nuclei are epitaxial and extend through the whole film thickness. Upon annealing, these columnar epitaxial CoSi2 grains grow laterally at temperatures as low as 50 C. The kinetics of this lateral epitaxial growth was studied at temperatures between 50 and 150 C. The activation energy of the growth process is 0.8 + or - 0.1 eV.

Nieh, C. W.↗
DOE OSTI2020

Atomic Layer Deposition of Pt on the Surface Deactivated by Fluorocarbon Implantation: Investigation of the Growth Mechanism

Selective atomic layer deposition (ALD) using surface-controlled reactivity is attracting a great deal of attention as a simple bottom-up patterning process that can provide both continued dimensional scaling and accurate pattern placement for next-generation nanoelectronics. Previously, we reported topographically selective deposition through Pt ALD using a MeCpPtMe 3 precursor and an O 2 counter reactant on fluorocarbon (CF x )-modified surfaces; however, gradual loss of selectivity in the CF x -modified regions was observed during the Pt ALD process. This work develops a fundamental understanding of the microscopic growth mechanisms of Pt ALD on the CF x -modified surface using a combination of experimental analyses and theoretical methods. The Pt growth characteristics on the CF x surface are investigated within a temperature window from 225 to 350 °C, and the results show a sharp sensitivity to growth temperature, with significant Pt growth occurring at temperatures above 300 °C. Through density functional theory (DFT) calculations, the reaction energies for adsorption of oxygen and the MeCpPtMe 3 precursor as well as formation of reaction products of CF x degradation are determined. Based on experimental results in conjunction with the DFT calculations, we show that while lower temperature Pt ALD (<300 °C) on CF x -modified surfaces can be significantly retarded because of a lack of MeCpPtMe 3 chemisorption, the surface reaction pathways for Pt ALD on CF x -modified surfaces at temperatures above 300 °C can proceed through oxygen adsorption and CF 4 desorption followed by Pt nucleation in CF x -degraded regions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Microstructural Development during Directional Solidification of Peritectic Alloys

A thorough understanding of the microstructures produced through solidification in peritectic systems has yet to be achieved, even though a large number of industrially and scientifically significant materials are in this class. One type of microstructure frequently observed during directional solidification consists of alternating layers of primary solid and peritectic solid oriented perpendicular to the growth direction. This layer formation is usually reported for alloy compositions within the two-phase region of the peritectic isotherm and for temperature gradient and growth rate conditions that result in a planar solid-liquid interface. Layered growth in peritectic alloys has not previously been characterized on a quantitative basis, nor has a mechanism for its formation been verified. The mechanisms that have been proposed for layer formation can be categorized as either extrinsic or intrinsic to the alloy system. The extrinsic mechanisms rely on externally induced perturbations to the system for layer formation, such as temperature oscillations, growth velocity variations, or vibrations. The intrinsic mechanisms approach layer formation as an alternative type of two phase growth that is inherent for certain peritectic systems and solidification conditions. Convective mixing of the liquid is an additional variable which can strongly influence the development and appearance of layers due to the requisite slow growth rate. The first quantitative description of layer formation is a model recently developed by Trivedi based on the intrinsic mechanism of cyclic accumulation and depiction of solute in the liquid ahead of the interface, linked to repeated nucleation events in the absence of convection. The objective of this research is to characterize the layered microstructures developed during ground-based experiments in which external influences have been minimized as much as possible and to compare these results to the current the model. Also, the differences between intrinsic and externally influenced layer formation were explored. The choice of alloy system is critical to a study of the formation of layered microstructures. The ideal system would have a well-characterized phase diagram, equal densities of both elements in the liquid state to minimize compositionally-driven convective flows, a low peritectic temperature to simplify directional solidification and the achievement of a high temperature gradient in the liquid, a broad composition range for the peritectic reaction, and a reasonable hardness at room temperature to facilitate handling and metallographic preparation. The In-Sn system was selected initially due to a very low peritectic temperature and the nearly equal densities of In and Sn in the liquid state. Since the In-rich peritectic reaction had apparently not been utilized previously for solidification research, experiments were conducted to check the phase diagram in the region of interest. The alloys in this system proved to be difficult to handle and prepare in bulk form with the equipment available, so experiments were initiated with the Sn-Cd system. Layered microstructures had been observed previously in Sn-Cd.

Lograsso, Thomas A.↗
NASA NTRS2007

Bulk Crystal Growth of Piezoelectric PMN-PT Crystals Using Gradient Freeze Technique for Improved SHM Sensors

There has been a growing interest in recent years in lead based perovskite ferroelectric and relaxor ferroelectric solid solutions because of their excellent dielectric, piezoelectric and electrostrictive properties that make them very attractive for various sensing, actuating and structural health monitoring (SHM) applications. We are interested in the development of highly sensitive and efficient PMN-PT sensors based on large single crystals for the structural health monitoring of composite materials that may be used in future spacecrafts. Highly sensitive sensors are needed for detection of defects in these materials because they often tend to fail by distributed and interacting damage modes and much of the damage occurs beneath the top surface of the laminate and not detectable by visual inspection. Research is being carried out for various combinations of solid solutions for PMN-PT piezoelectric materials and bigger size crystals are being sought for improved sensor applications. Single crystals of this material are of interest for sensor applications because of their high piezoelectric coefficient (d33 greater than 1700 pC/N) and electromechanical coefficients (k33 greater than 0.90). For comparison, the commonly used piezoelectric ceramic lead zirconate titanate (PZT) has a d33 of about 600 pC/N and electromechanical coefficients k33 of about 0.75. At the present time, these piezoelectric relaxor crystals are grown by high temperature flux growth method and the size of these crystals are rather small (~3x4x5 mm(exp 3). In the present paper, we have attempted to grow bulk single crystals of PMN-PT in a 2 inch diameter platinum crucible and successfully grown a large size crystal of 67%PMN-33%PT using the vertical gradient freeze technique with no flux. Piezoelectric properties of the grown crystals are investigated. PMN-PT plates show excellent piezoelectric properties. Samples were poled under an applied electric field of 5 kV/cm. Dielectric properties at a frequency of 1 kHz are examined. The grown PMN-PT crystals show typical relaxor dielectric properties. Additionally, the thermal properties of the sample are tested. The results are in good agreement with those found in the literature and some are reported for the first time.

Aggarwal, Mohan D.↗
NASA NTRS2001

Characterization of Carbon Nanotubes Grown by Chemical Vapor Deposition

Since the superior properties of multi-wall carbon nanotubes (MWCNT) could improve numerous devices such as electronics and sensors, many efforts have been made in investigating the growth mechanism of MWCNT to synthesize high quality MWCNT. Chemical vapor deposition (CVD) is widely used for MWCNT synthesis, and scanning electron microscopy (SEM) and energy dispersive x-ray spectroscopy (EDS) are useful methods for analyzing the structure, morphology and composition of MWCNT. Temperature and pressure are two important growth parameters for fabricating carbon nanotubes. In MWCNT growth by CVD, the plasma assisted method is normally used for low temperature growth. However a high temperature environment is required for thermal CVD. A systematic study of temperature and pressure-dependence is very helpful to understanding MWCNT growth. Transition metal particles are commonly used as catalysis in carbon nanotube growth. It is also interesting to know how temperature and pressure affect the interface of carbon species and catalyst particles

Cochrane, J. C.↗
DOE OSTI2020

Homoepitaxial growth of 9,10-diphenylanthracene

Organic single crystals are often shown to have significantly improved optoelectronic properties over polycrystalline thin films such as exciton diffusivity and carrier mobility. There is growing interest in incorporating such crystals in organic electronics despite a number of challenges. In this work, the homoepitaxial vapor phase growth modes for 9,10-diphenylanthracene (DPA) homoepitaxy are mapped as a function of growth rate and temperature using in situ ultra-low current reflection high energy electron diffraction (RHEED), X-ray diffraction (XRD), and atomic force microscopy (AFM). Vapor phase deposition was performed on free-standing single crystal DPA substrates, which show clear Kikuchi patterns. At room temperature, a transition from Frank-Van der Merwe layer-by-layer growth to step-flow growth is observed as the deposition rate is decreased, while at lower temperatures a Stranski-Krastanov layer-plus-island growth is observed. This is the first demonstration of true step-flow growth from room temperature vapor phase deposition for organic semiconductors and is reminiscent of traditional semiconductor growth regimes. Accordingly, these results could lead to improved control over growth and doping of organic single crystals, and lead to enhanced single crystal organic optoelectronic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Irradiation-Induced Grain Growth of gamma-Fe2O3 and Fe3O4 at Cryogenic Temperatures

This work reports the first observations of grain growth under irradiation of Fe oxides, specifically maghemite gamma-Fe2O3 and magnetite Fe3O4. The Fe oxide thin films were grown by Pulsed Laser Deposition and irradiated in-situ in a Transmission Electron Microscope at - 223°C using 1 MeV Kr2+ ions up to 8.75 x 10^19 ions/m^2 to study grain growth kinetics under irradiation. Grain growth at such low temperatures appears to follow kinetics that can be accounted for by the thermal spike model developed for metals in the literature. The corresponding activation energies were calculated and compared with other oxides. The results demonstrate that gamma-Fe2O3, despite its larger initial grain size, exhibits surprisingly fast grain growth in comparison with Fe3O4, likely due to the presence of iron vacancies in the crystal structure that facilitate faster atomic diffusion under irradiation.

Kretov, Dmitrii↗
NASA NTRS2001

Orientational Growth of Carbon Nanotube for Applications

Since the superior properties of multi-wall carbon nanotubes (MWCNT) could improve numerous devices such as electronics and sensors, many efforts have been made in investigating the growth mechanism of MWCNT to synthesize high quality MWCNT. Most applications require uniform aligned CNT. In this presentation, a directional growth of CNT will be reported. Carbon nanotubes are synthesized using thermal chemical vapor deposition. Temperature and pressure are two important growth parameters for fabricating carbon nanotubes. It is found that the nanotube diameter distribution mainly depends on the growth-temperature. With the substrate surface normal either along or against the gravity vector, different growth orientations of MWCNT are observed by scanning electron microscopy although the Raman spectra are similar for samples synthesized at different locations. The sizes of these carbon nanotubes in each sample are quite uniform and the length of the tube is up to several tens of micrometers. These results suggest the gravitation effects in the growth of long and small diameter CNT.

Zhu, Shen↗
DOE OSTI2021

Role of V-defect density on the performance of III-nitride green LEDs on sapphire substrates

In this paper, we experimentally investigated the role of V-defect density on the performance of green III-nitride LEDs grown on sapphire substrates by metalorganic chemical vapor deposition. We systematically varied the threading dislocation (TD) density from 4 × 10 8 to 1 × 10 9 cm -2 by changing the V/III ratio during initial high temperature GaN growth. A 30-period InGaN/GaN superlattice promoted V-defect formation and growth at TDs, where the density of V-defects was correlated to the TD density. By interrupting the LED growth and examining the surface of the active region, we quantified the average size and density of V-defects. In a series of LEDs, we measured a systematic decrease in forward voltage (V F ) with V-defect density. At a V-defect density of 5.0 × 10 8 cm -2 and TD density of 1 × 10 9 cm -2 , green LED devices were demonstrated with λ = 523 nm and V F = 2.94 V at 20 A cm -2 . These results highlight the potential of using V-defect engineering to achieve low V F long wavelength LEDs on sapphire substrates, where opening of remaining threading dislocations into V-defects presents an opportunity for further V F reduction.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Low-Temperature Gas-Phase Formation of Methanimine (CH 2 NH; X 1 A')–the Simplest Imine–under Single-Collision Conditions

The D1-methanimine molecule (CHDNH; X 1 A') – the simplest (deuterated) imine – has been prepared through the elementary reaction of the D1-methylidyne (CD; X 2 Π) with ammonia (NH 3 ; X 1 A 1 ) under single collision conditions. As a highly reactive species with a carbon-nitrogen double bond and a key building block of biomolecules like amino acids and nucleobases, methanimine is of particular significance in coupling the nitrogen and carbon chemistries in the interstellar medium and in hydrocarbon-rich atmospheres of planets and their moons. However, the underlying formation mechanisms of methanimine in these extreme environments are still elusive. Here, the directed, low-temperature gas-phase formation of D1-methanimine will deepen our fundamental understanding of low-temperature molecular growths processes via carbon-nitrogen bond coupling. Considering the recent detection of the interstellar D1-methylidyne radical, the investigation of the CD–NH 3 system also suggests a promising pathway for future astronomical observations of D1-methanimine as a molecular tracer of gas phase deuterium-enrichment in deep space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Plasma-Enhanced Atomic Layer Deposition Synthesis of Nanolayered Molybdenum Diselenide (MoSe 2 ) Thin Films for Nanoelectronics

Nanolayered molybdenum diselenide (MoSe 2 ) thin films were synthesized by plasma-enhanced atomic layer deposition (PE-ALD) using molybdenum pentachloride (MoCl 5 ) and diethyldiselenide (C 4 H 10 Se 2 ) precursors. Scanning and transmission electron microscopy revealed horizontally stacked nanolayers near the substrate and vertically oriented nanosheets at the surface of the film. X-ray diffraction confirmed the (002), (100), and (110) reflections of crystalline MoSe 2 , while X-ray photoelectron spectroscopy showed relative atomic concentrations of 33.5% Mo and 66.5% Se, consistent with stoichiometric MoSe 2 . Raman spectra exhibited characteristic E 1g , A 1g , and E$^1_{2g}$ vibrational modes. Field-effect transistors incorporating PE-ALD-grown MoSe 2 as the channel material displayed p-type behavior, demonstrating the potential of nanolayered MoSe 2 for nanoelectronic applications. This work demonstrates the feasibility of low-temperature, stoichiometric growth of nanolayered MoSe 2 by PE-ALD and its direct integration into transistor architectures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Macroscopic Monochalcogenide van der Waals Ferroics: Growth, Domain Structures, and Curie Temperature

Two-dimensional and layered van der Waals materials promise to overcome the limitations of conventional ferroelectrics in terms of miniaturization and material integration, but synthesis has produced only small (up to few micrometer-sized) ferroic crystals. Here, we report the realization of in-plane ferroelectric few-layer crystals of the monochalcogenides tin(II) sulfide and selenide (SnS, SnSe) whose linear dimensions exceed the current state of the art by up to 1 order of magnitude. Such large crystals allow the investigation of ferroic domain patterns that are unaffected by edges and finite-size effects. Analysis of the abundant stripe domains by electron microscopy and nanobeam electron diffraction shows two distinct domain types: twin domains separated by positively charged walls with alternating head-to-head and tail-to-tail polarization as well as not previously observed purely rotational domains connected by neutral domain walls with head-to-tail dipoles. Access to large crystals allowed the determination of the Curie temperature of few-layer SnSe van der Waals ferroelectrics, and it enables the investigation of this class of ferroelectrics by widely available methods such as polarized optical microscopy. Furthermore, the combination with layer transfer protocols promises uniform materials for exploring fundamentals and for implementing devices for information processing and energy conversion.

36 MATERIALS SCIENCE↗
DOE OSTI2025

An Unconventional Dark Radical Chemistry in Dense Molecular Clouds: Directed Gas-Phase Formation of Naphthyl Radicals

The synthetic pathways to aromatic molecules inside photon-shielded dense molecular clouds remain a fundamental, unsolved enigma in astrochemistry and astrophysics, with low-temperature molecular growth routes involving aromatic radicals, such as prototype bicyclic naphthyl (C 10 H 7 • ), implicated as key sources. Here, exploiting crossed molecular beam experiments augmented by electronic structure calculations, unexpected pathways are exposed leading to the gas-phase formation of 1- and 2-naphthyl via barrierless bimolecular reactions of atomic carbon (C) with indene (C 9 H 8 ) and of dicarbon (C 2 ) with styrene (C 8 H 8 ) accompanied by ring expansion and cyclization together with aromatization. These facile routes challenge conventional wisdom that aromatic radicals are formed in deep space solely via “bright” gas-phase photochemistry of their closed-shell polycyclic aromatic hydrocarbon (PAH) precursors. A hitherto disregarded “dark” aromatic radical chemistry with aromatic radicals synthesized via gas-phase reactions offers new concepts on the chemical evolution of the chemistry of dark molecular clouds eventually culminating in the rapid formation of aromatics, fullerenes, and carbonaceous nanostructures.

Aromatic compounds↗
DOE OSTI2026

Field-tailoring quantum materials via magneto-synthesis: metastable metallic and magnetically suppressed phases in a trimer iridate

We demonstrate that applying modest magnetic fields (< 0.1 T) during high-temperature crystal growth can profoundly alter the structure and ground state of a spin-orbit-coupled, antiferromagnetic trimer lattice. Using BaIrO₃ as a model system, whose ground state is intricately dictated by the trimer lattice, we show that magneto-synthesis , a field-assisted synthesis approach, stabilizes a structurally compressed, metastable metallic and magnetically suppressed phases inaccessible via conventional methods. These effects include a 0.85% reduction in unit cell, 4-order-of-magnitude decrease in resistivity, a 10-fold enhancement of the Sommerfeld coefficient, and the collapse of long-range magnetic order -- all intrinsic and bulk in origin. First-principles calculations confirm that the field-stabilized structure lies substantially above the ground state in energy, highlighting its metastable character. These large, coherent and correlated changes across multiple bulk properties, unlike those caused by dilute impurities, defects or off-stoichiometry, point to an intrinsic field-induced mechanism. The findings establish magneto-synthesis as a powerful new pathway for accessing non-equilibrium quantum phases in strongly correlated materials.

magneto-synthesis↗
DOE OSTI2025

Arsenic activation and compensation in single crystal CdTe bilayers

In state-of-the art polycrystalline CdTe photovoltaics, group-V dopant activation is about 2%. Low activation can create electronic defects and lead to recombination and band tail losses. To develop methods to overcome this limitation, dopant activation was systematically investigated using molecular beam epitaxy (MBE) grown single crystal bilayers of As-doped CdTe on undoped CdTe. Results suggest multiple paths for improved As-activation in polycrystalline CdTe-based devices. It was found that the carrier concentration in this MBE material saturated at ∼3 × 1016 cm−3, with high levels (>50%) of As-activation possible. High activation could be achieved with a post-growth activation temperature of ∼450 °C, when the initial doping level was below the saturation level. However, at typical polycrystalline As incorporation levels (>5 × 1016 cm−3), the excess As is inactive or compensating, requiring elevated temperatures (500–600 °C) to achieve high activation. Oxygen in the annealing ambient was detrimental, while the effect of CdCl2 in the ambient is more case-dependent. A 575 °C activation anneal was combined with a 450 °C CdCl2 treatment to better understand the implications for polycrystalline CdTe. Interestingly, on highly doped samples, processes ending with a high temperature step displayed high activation, while those ending at 450 °C significantly reduced the carrier concentration (with or without CdCl2 in the ambient). Low activation can be restored with another high temperature anneal, allowing reproducible toggling between high and low activation based on the final temperature. Photoluminescence revealed the presence of donor–acceptor pairs in the low activation state that appear to be associated with a compensating defect.

14 SOLAR ENERGY↗