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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Mass transport and crystal growth of the mixed ZrS2-ZrSe2 system

The solid solubility of the ZrS2-ZrSe2 system was reinvestigated by annealing techniques to establish the relationship between composition and lattice parameters. Mixed crystals of ZrS(2x)Se2(1-x) for selected compositions of the source material were grown by chemical vapor transport and characterized by X-ray diffraction and microscopic methods. The mass transport rates and crystal growth of ZrSSe were investigated and compared with those of other compositions. The mass fluxes of the mixed system showed an increase with increasing selenium content. The transport products were richer in ZrSe2 than the residual source materials when the ZrSe2 content of the starting materials was greater than 50 mol.-pct. The mass transport rates revealed an increasing mass flux with pressure.

Wiedemeier, Heribert↗
NASA NTRS1989

Stoichiometric effects on the optical properties of LiInSe(2)

The diffuse reflectance of LiInSe(2) between 0.67 and 3.54 eV have been measured and the Kubelka-Munk theory was used to obtain the absorption coefficient from the data. The band gap in the samples is located at approximately 1.6 eV. The In and Se content of the samples was determined from atomic absorption measurements. Absorption peaks at 0.890 and 0.896 eV have been observed which are correlated, respectively, to the selenium and indium deficiencies in the samples.

Smith, Cecily J.↗
NASA NTRS1990

Synthesis and structures of metal chalcogenide precursors

The reactivity of early transition metal sandwich complexes with sulfur-rich molecules such as dithiocarboxylic acids was studied. Researchers recently initiated work on precursors to CuInSe2 and related chalcopyrite semiconductors. Th every high radiation tolerance and the high absorption coefficient of CuInSe2 makes this material extremely attractive for lightweight space solar cells. Their general approach in early transition metal chemistry, the reaction of low-valent metal complexes or metal powders with sulfur and selenium rich compounds, was extended to the synthesis of chalcopyrite precursors. Here, the researchers describe synthesis, structures, and and routes to single molecule precursors to metal chalcogenides.

Hepp, Aloysius F.↗
NASA NTRS1991

Growth of electronic materials in microgravity

A growth experiment aimed at growing two selenium-doped gallium arsenide crystals, each of which are one inch in diameter and 3.45 inches in length, is described. Emphasis is placed on the effect of microgravity on the segregation behavior of electronic materials. The lessons learned from the 1975 ASTP mission have been incorporated in this experiment.

Matthiesen, D. H.↗
NASA NTRS1992

Crystal Growth Furnace - An overview of the system configuration and planned experiments on the First United States Microgravity Laboratory mission

The Crystal Growth Furnace (CGF) system configuration for the First United States Microgravity Laboratory (USML-1) mission is reviewed, and the planned on-orbit experiments are briefly described. The CGF is configured to accommodate four scientific experiments involving crystal growth which are based on the classical Bridgman method and CVT method, including vapor transport crystal growth of mercury cadmium telluride; crystal growth of mercury zinc telluride by directional solidification; seeded Bridgman growth of zinc-doped cadmium telluride; and Bridgman growth of selenium-doped gallium arsenide.

Srinivas, R.↗
NASA NTRS1993

Extended duration lunar lander

Selenium Technologies has been conducting preliminary design work on a manned lunar lander for use in NASA's First Lunar Outpost (FLO) program. The resulting lander is designed to carry a crew of four astronauts to a prepositioned habitat on the lunar surface, remain on the lunar surface for up to 45 days while the crew is living in the habitat, then return the crew to earth via direct reentry and land recovery. Should the need arise, the crew can manually guide the lander to a safe lunar landing site, and live in the lander for up to ten days on the surface. Also, an abort to earth is available during any segment of the mission. The main propulsion system consists of a cluster of four modified Pratt and Whitney RL10 rocket engines that use liquid methane (LCH4) and liquid oxygen (LOX). Four engines are used to provide redundancy and a satisfactory engine out capability. Differences between the new propulsion system and the original system include slightly smaller engine size and lower thrust per engine, although specific impulse remains the same despite the smaller size. Concerns over nozzle ground clearance and engine reliability, as well as more information from Pratt and Whitney, brought about this change. The power system consists of a combination of regenerative fuel cells and solar arrays. While the lander is in flight to or from the moon, or during the lunar night, fuel cells provide all electrical power. During the lunar day, solar arrays are deployed to provide electrical power for the lander as well as electrolyzers, which separate some water back into hydrogen and oxygen for later use by the fuel cells. Total storage requirements for oxygen, hydrogen, and water are 61 kg, 551 kg, and 360 kg, respectively. The lander is a stage-and-a-half design with descent propellant, cargo, and landing gear contained in the descent stage, and the main propulsion system, ascent propellant, and crew module contained in the ascent stage. The primary structure for both stages is a truss, to which all tanks and components are attached. The crew module is a conical shape similar to that of the Apollo Command Module, but significantly larger with a height and maximum diameter of six meters.

Babic, Nikola↗
NASA NTRS1997

Crystal Growth of Undoped and Doped ZnSe

The surface morphology of freshly cleaved ZnSe single crystal grown by the physical vapor transport (PVT) method was investigated by Atomic Force Microscopy (AFM) and the results were correlated with Differential Scanning Calorimetry (DSC) data. Selenium precipitates have been revealed in undoped doped ZnSe crystals having a size of about 50 nm. A transition temperature around 221 C in the DSC measurements is interpreted as the eutectic temperature of Se-saturated ZnSe. The AFM images of doped ZnSe also show that possible Cr clusters are uniformly distributed and they have an estimated size of about 6 nm.

Davis, Swanson L.↗
NASA NTRS1998

Experiment 13: The Study of Dopant Segregation Behavior During the Growth of GaAs in Microgravity on USML-2

An investigation into the segregation behavior of selenium doped gallium arsenide (Se/GaAs) during directional solidification in the microgravity environment was conducted using the Crystal Growth Furnace (CGF) aboard the second United States Microgravity Laboratory (USML-2). Two crystals were successfully processed on USML-2, which lasted from October 20 to November 7, 1995. The first sample was processed for 67 hours, 45 minutes (MET 5/04:53:45-8/00:23:50) and included 19 hours of growth at 0.5 microns/sec which yielded 3.42 cm of sample length, and 5 hours of growth at 1.5 microns/sec which yielded 2.7 cm of sample. During the second experiment, the furnace temperature was adjusted to move the melt-solid interface position towards the hot end of the furnace. The second sample was processed for 50 hours, 10 minutes (MET 8/18:48:49-10/21:58:54) and included 11 hours of growth at 0.5 microns/sec which yielded 1.98 cm of sample, and 1 hour, 25 minutes of growth at 5.0 microns/sec which yielded 2.6 cm of sample. This sample provides an order of magnitude change in growth rate and reproduces one of the growth rates used during USML-1. In contrast to the results from USML-1, no voids were present in either crystal grown on USML-2. The absence of voids in either sample indicates that growth rate changes alone were not responsible for the formation of voids found in the crystals grown on USML-1. Sections of the ground-based and flight crystals grown on USML-2 were cut and polished. All of the interface demarcation lines expected from the current pulse interface demarcation (CPID) system have been identified. These measurements have been analyzed for interface positions, interface shapes, and growth rates. Using a newly developed technique, based on experimental and numerical results, the seeding interface reproducibility from run to run was <= 2.5 mm. The seeding interface position could be controllably moved, with respect to the furnace zones, by adjusting the control set points of the heating zones. The interface shapes flattened slightly as the interface position moved closer to the hot zone but was always an unfavorable concave into the solid shape. The growth rate was found to equal the furnace translation rate, after a 2 -hour transient, for growth rates <= 1.0 microns/sec. Segregation measurements for the ground-based crystals are indicative of complete mixing behavior, as expected. Segregation measurements of the flight crystals are still in progress.

Matthiesen, David H.↗
NASA NTRS1971

Laboratory Methods for the Measurement of Pollutants in Water and Waste Effluents

The requirement for accurate, precise, and rapid analytical procedures for the examination of water and waste samples requires the use of a variety of instruments. The instrumentation in water laboratories includes atomic absorption, UV-visible. and infrared spectrophotometers, automatic colorimetric analyzers, gas chromatographs and mass spectrometers. Because of the emphasis on regulatory action, attention is being directed toward quality control of analytical results. Among the challenging problems are the differentiation of metallic species in water at nanogram concentrations, rapid measurement of free cyanide and free ammonia, more sensitive methods for arsenic and selenium and improved characterization of organic contaminants.

Ballinger, Dwight G.↗
NASA NTRS1997

Interface Shape and Growth Rate Analysis of Se/GaAs Bulk Crystals Grown in the NASA Crystal Growth Furnace (CGF)

Selenium-doped gallium arsenide, Se/GaAs, bulk crystals have been grown on earth using NASA's crystal growth furnace (CGF) in preparation for microgravity experimentation on the USML-2 spacelab mission. Peltier cooling pulses of 50 ms duration, 2040 A magnitude, and 0.0033 Hz frequency were used to successfully demark the melt-solid interface at known times during the crystal growth process. Post-growth characterization included interface shape measurement, growth rate calculation, and growth rate transient determinations. It was found that the interface shapes were always slightly concave into the solid. The curvature of the seeding interfaces was typically 1.5 mm for the 15 mm diameter samples. This was in agreement with the predicted interface shapes and positions relative to the furnace determined using a numerical model of the sample/ampoule/cartridge assembly (SACA).

Bly, J. M.↗
NASA NTRS1990

Methanococcus igneus sp. nov., a novel hyperthermophilic methanogen from a shallow submarine hydrothermal system

A novel hyperthermophilic strictly chemolithoautotrophic member of the genus Methanococcus was isolated from a shallow (depth: 106 m) submarine vent system at the Kolbeinsey ridge, Iceland. The isolate grew between 45 and 91 degrees C with an optimum around 88 degrees C (doubling time: 25 min). It differs from Methanococcus jannaschii in its 16S rRNA sequence, its non-hybridizing DNA, and its selenium-independent growth. Therefore, the isolate represents a new species which we name Methanococcus igneus. Type strain is isolate "Kol 5" (DSM 5666).

NASA Program Exobiology↗
NASA NTRS2004

Thermal Diffusivity for III-VI Semiconductor Melts at Different Temperatures

The change of the thermal properties of semiconductor melts reflects the structural changes inside the melts, and a fundamental understanding of this structural transformation is essential for high quality semiconductor crystal growth process. This paper focused on the technical development and the measurement of thermal properties of III-VI semiconductor melts at high temperatures. Our previous work has improved the laser flash method for the specialized quartz sample cell. In this paper, we reported the results of our recent progress in further improvements of the measurement system by minimizing the free convection of the melt, adding a front IR detector, and placing the sample cell in a vacuum environment. The results for tellurium and selenium based compounds, some of which have never been reported in the literature, were obtained at different temperatures as a function of time. The data were compared with other measured thermophysical properties to shed light on the structural transformations of the melt.

Ban, H.↗
NASA NTRS2016

Design and Growth of Novel Compounds for Radiation Sensors: Multinary Chalcogenides

Increasing threats of radiological weapons have revitalized the researches for low cost large volume -ray and neutron ray sensors In the past few years we have designed and grown ternary and quaternary lead and thallium chalcogenides and lead selenoiodides for detectors to meet these challenges. These materials are congruent, can be tailored to enhance the parameters required for radiation sensors. In addition, this class of compounds can be grown by Bridgman method which promises for large volume productions. We have single crystals of several compounds from the melt including Tl3AsSe3, Tl3AsSe3-xSx, TlGaSe2, AgGaGe3Se8, AgxLi1-xAgGaGe3Se8 and PbTlI5-x Sex compounds. Experimental studies indicate that these have very low absorption coefficient, low defect density and can be fabricated in any shape and sizes. These crystals do not require post growth annealing and do not show any second phase precipitates when processed for electrode bonding and other fabrication steps. In this paper we report purification, growth and fabrication of large Tl3AsSe3 (TAS) crystals. We observed that TAS crystals grown by using further purification of as supplied high purity source materials followed by directionally solidified charge showed higher resistivity than previously reported values. TAS also showed constant value as the function of voltage. A low thermal gradient and high purity source material were used to reduce thermal stresses in large crystals. By improving the purification of the as supplied source materials very high quality thallium, selenium and arsenic was achieved for preparing stoichiometric Tl3AsSe3 compound. Low gradient (<20K/cm) and slow growth rate (1-2 cm/day) produced crystals with reduced stress. Crystals did not show any micro cracking during fabrication of crystals grown with high purity and at low thermal gradient. Since thallium is a major component and very sensitive to surface oxidation, removal of surface and bulk oxides is very important. Intentional increase in the growth rate from 1cm/day to higher speed (>5cm/day) showed very different morphologies on the surface of the crystals. Electrical resistivity was one order of magnitude higher than previously reported value and it was observed to be constant as the function of frequency.

Singh, N. B.↗
NASA NTRSDate not supplied

Solvent-Free Preparation of High Energy, Binder-Free Electrodes Enabled by Dry Compressible Holey Graphene

Graphene is an atomically thick sheet consisting of a graphitic carbon network with excellent mechanical strength, electrical and thermal conductivity, and chemical stability. Holey graphene, a structural derivative of graphene, has an array of through-the-thickness holes across the lateral surface of the nanosheet. The presence of these holes has minimal detrimental effect on the graphene properties and leads to enhanced performance in applications such as electronics, sensors, and energy storage. For example, these holes allow more facile cross-plane ion and gas transport than intact graphene, making holey graphene an ideal electrode material for electrochemical energy storage. This presentation will focus on the ability of holey graphene to be compression molded into robust articles or architectures under solvent-free conditions without the need for potentially parasitic binders. The unique dry compressibility of holey graphene has enabled facile fabrication of high mass loading electrodes with both high density and high porosity, which have found use in supercapacitors and various high-energy battery systems such as lithium-oxygen, lithium-sulfur, and lithium-selenium batteries.

Yi Lin↗
NASA NTRSDate not supplied

Computationally Guided Development of Components for High Energy Density Solid-State Lithium-Sulfur Batteries

All electric vertical take-off and landing vehicles (eVTOL) for urban air mobility (UAM) concepts face numerous challenging technical barriers before their introduction into the consumer marketplace. The most challenging of these technical barriers to overcome is developing an energy storage system capable of meeting the rigorous aerospace safety and performance criteria1. The performance metrics for eVTOL craft, such as specific energy, specific power, and safety, exceed those of electric automobiles by a factor of two to four. Current state-of-the-art (SOA) lithium-ion batteries are incapable of meeting the key performance criteria of energy and safety for eVTOL. Therefore, next generation advanced chemistries and designs must be developed to meet required performance metrics for electric aviation2. Beyond lithium-ion chemistries, such as lithium-sulfur, show promise in their high energy, while limitations exist in their power and cyclability due to low electrical conductivity and high intermediate solubility in organic liquid electrolytes. Several strategies to overcome the low electrical conductivity involve the use of selenium as a dopant in the active sulfur material, along with the incorporation of 2-dimensional electron-conducting holey-graphene to improve the composite cathodes electronic conductivity. Furthermore, combining this chemistry with a solid-electrolyte avoids the components’ dissolution issues3. However, the development of composite solid-state cathodes is non-trivial as several components must be intimately mixed so that the active component has sufficient access to both electrons and lithium ions to undergo full electrochemical conversion. Mathematical modeling of battery components can assist experimental design through a robust and rigorous combination of computational modeling techniques covering multiple length scales. The objective is to leverage modern computational materials methods combined with battery multiphysics tools to develop radically advanced compatible cathode and electrolyte materials, build and test solid state lithium-sulfur cells and packs. A NASA-based cross-organizational team of high-powered experts combined integrated computational predictive modeling, fundamental chemistry analysis, advanced material science, and battery cell development to tackle this very challenging, multidisciplinary problem. This presentation will show a multiscale computational modeling approach that has produced a novel particle dynamics method called Solid Electrolyte Sphere Approximation Model (SESAM). SESAM modeling targets the 1-10 µm scale structures and provides electromechanical and grain interactions for predictive design guidelines for the manufacturing of solid-state components. Parameters such as particle size and volume fraction of the constituent materials were modeled and experimentally fabricated to optimize electrochemical performance through improved microstructure design. Experimental feedback was provided through ionic and electronic conductivity assessment and structural analysis of developed materials and cell components.

battery↗
NASA NTRSDate not supplied

Mixed-Domain Charge Transport in the S-Se System from First Principles

Lithium-sulfur (Li-S) batteries are emerging systems heralded for the inexpensive cathode component (in S)and higher energy density than that of typical Li-ion batteries [1–5]. For the latter reason in particular, they are drawing high levels of interest for long-range electric air-craft applications where high gravimetric energy density is of utmost importance. Unfortunately, S by itself has a much too low electrical conductivity to be useful asa stand-alone cathode material. One effort to alleviate these shortcomings is to alloy sulfur with selenium [6–13],which is expected to improve the paltry conductivity of S as Se, depending on the phase, is 10∼30 times more conductive. This, however, comes at the cost of the heavier mass of Se that works against the gravimetric energy density. The charge transport behavior in the S1−xSex alloy system, not yet fully known or understood, is necessary for one to navigate the trade-offs between conductivity and other variables such as energy density en route to ultimately determining the optimum Se content, on demand. Charting carrier mobilities and conductivities in the S-Se system throughout the compositional spectrum from first principles at a predictive level is therefore critical.

Junsoo Park↗
NASA NTRS2022

Un-Numbered Operational Areas PRL 229 Railroad Tie Disposal Area Pond Confirmation Sampling Report

This Confirmatory Sampling (CS) Report (CSR) was prepared for the National Aeronautics and Space Administration (NASA), Kennedy Space Center (KSC), Florida in accordance with the CS Work Plan (CSWP) (HGL, 2022a). The CSR summarizes investigation activities performed on the Railroad Tie Disposal Area (RTDA) of the Un-Numbered Operational Areas (UNOA), Potential Release Location (PRL) 229 located at KSC. HydroGeoLogic, Inc. (HGL) prepared this report under Contract Number 80KSC019D0012. The purpose of the CSR is to provide information to evaluate the level of potential contamination in surface water and sediment samples collected from the RTDA PRL 229 Pond and determine if contaminants pose unacceptable risks to ecological receptors. The CSR provides analytical data of 10 sets of surface water and sediment samples collected in 2021. Surface water samples were analyzed for volatile organic compounds (VOCs), semi-volatile organic compounds (SVOCs), polynuclear aromatic hydrocarbon (PAHs), metals, hardness, and salinity, while sediment samples were analyzed for metals, total organic carbon (TOC), SVOCs, PAHs, and total petroleum hydrocarbons (TPH). The CSR includes a Screening Level Ecological Risk Assessment (SLERA) conducted under KSC’s Resource Conservation and Recovery Act (RCRA) Corrective Action Program to determine if unacceptable risks to ecological receptors exist at PRL 229 Pond. Metals and PAHs were detected in surface water samples, including detections of antimony, arsenic, barium, calcium, copper, lead, magnesium, thallium, zinc, anthracene, benzo(a)anthracene, benzo(a)pyrene, benzo(b)fluoranthene, benzo(g,h,i)perylene, benzo(k)fluoranthene, chrysene, dibenzo(a,h)anthracene, fluoranthene, indeno(1,2,3-c,d)pyrene and pyrene. Based on measured salinity (1.03 to 1.21 parts per thousand), the pond was identified as freshwater. Sediment analytical results also contained detections of metals and PAHs, including antimony, arsenic, barium, beryllium, cadmium, chromium, copper, lead, mercury, nickel, selenium, thallium, zinc, anthracene benzo(a)anthracene, benzo(a)pyrene, benzo(b)fluoranthene, benzo(g,h,i)perylene, benzo(k)fluoranthene, chrysene, dibenzo(a,h)anthracene, fluoranthene, indeno(1,2,3-c,d)pyrene and pyrene. Potential risks to ecological receptors were evaluated in accordance with the SLERA Work Plan and the Decision Process Document for the Resource Conservation and Recovery Act (RCRA) Corrective Action Program at KSC (DPD) (Geosyntec, 2019), and using the 2021 sediment and surface water analytical results. Potential ecological receptors evaluated in the SLERA include the aquatic community, benthic invertebrates, aquatic birds, and aquatic mammals. The SLERA included Steps 2a through 2c of the Ecological Risk Assessment (ERA) process in accordance with the DPD. Using multiple lines of evidence, the SLERA concluded that many of the detected analytes are present at concentrations similar to those in background or reference locations at KSC, and/or at concentrations that would not pose a significant risk to ecological communities. There are no screening values available for the avian community, and PAHs are bioaccumulative compounds. For this reason, food web modeling was completed as a supplement to Step 2c to provide a quantitative evaluation of this exposure pathway. Food web modeling indicates that PAHs are unlikely to pose a risk to birds exposed to site sediment and surface water. Based on the results of the SLERA, the contaminants in sediment and surface water pose no to minimal risk to the ecological communities that could live or forage at the site. Based on the results of the SLERA, no further study is recommended for the RTDA Pond at PRL 229.

Confirmation Sampling↗
NASA NTRSDate not supplied

ICME for NASA Aerospace Applications: Batteries for Electric Aviation

NASA’s approach to computational materials modeling is detailed in the NASA Vision 2040 Roadmap for Multiscale Modeling and Simulation of Materials and Systems. This report is in the spirit of national initiatives such as the Material Genome Initiative (MGI), Integrated Computational Materials Engineering (ICME), and others. We utilize a combination of fundamental modeling, computational high-throughput screening, and data science methods, e.g., machine learning, are used to find innovative solutions to NASA or national technology challenges. Applications of interest are wide ranging from advanced alloys to batteries to coatings, among others. In this talk, we present three examples for recent work related to NASA applications. First, doping advanced sulfur battery cathodes with selenium boosts electrical conductivity important for electric aircraft applications. First principles calculations will be discussed that result in compositional design maps for these materials. Second, development of icephobic coatings is important to mitigate safety hazards associated with icing for aircraft. Molecular dynamics simulations are reported for ice-surface interfaces to understand adhesion mechanisms and help screen optimal ice-phobic coatings. Third, shape memory alloys have numerous applications as actuators, superelastic materials, etc. for aerospace. We report machine learning models that predict martensitic transition temperatures across a broad swath of compositional space.

John Lawson↗