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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
NASA NTRS1978

Screening materials for smoke evolution

The density of smoke produced by burning or smoldering materials is a factor that affects the ability of occupants to escape from a burning structure and the effectiveness of firefighters. Accordingly, considerable effort is being spent on developing materials that minimize the amount of smoke without impairing their performance characteristics. In the present paper, laboratory tests on such materials are described and evaluated. It is seen that the National Bureau of Standards smoke test and the Ohio State University release-rate test are the most promising for screening materials for smoke evolution. It is shown that, for plastics, smoke obscuration is a more realistic concern than smoke toxicity.

Hilado, C. J.↗
NASA NTRS1989

Gallium arsenide processing for gate array logic

The development of a reliable and reproducible GaAs process was initiated for applications in gate array logic. Gallium Arsenide is an extremely important material for high speed electronic applications in both digital and analog circuits since its electron mobility is 3 to 5 times that of silicon, this allows for faster switching times for devices fabricated with it. Unfortunately GaAs is an extremely difficult material to process with respect to silicon and since it includes the arsenic component GaAs can be quite dangerous (toxic) especially during some heating steps. The first stage of the research was directed at developing a simple process to produce GaAs MESFETs. The MESFET (MEtal Semiconductor Field Effect Transistor) is the most useful, practical and simple active device which can be fabricated in GaAs. It utilizes an ohmic source and drain contact separated by a Schottky gate. The gate width is typically a few microns. Several process steps were required to produce a good working device including ion implantation, photolithography, thermal annealing, and metal deposition. A process was designed to reduce the total number of steps to a minimum so as to reduce possible errors. The first run produced no good devices. The problem occurred during an aluminum etch step while defining the gate contacts. It was found that the chemical etchant attacked the GaAs causing trenching and subsequent severing of the active gate region from the rest of the device. Thus all devices appeared as open circuits. This problem is being corrected and since it was the last step in the process correction should be successful. The second planned stage involves the circuit assembly of the discrete MESFETs into logic gates for test and analysis. Finally the third stage is to incorporate the designed process with the tested circuit in a layout that would produce the gate array as a GaAs integrated circuit.

Cole, Eric D.↗
DOE OSTI2021

Discovery of a Wurtzite-like Cu 2 FeSnSe 4 Semiconductor Nanocrystal Polymorph and Implications for Related CuFeSe 2 Materials

I 2 -II-IV-VI 4 and I-III-VI 2 semiconductor nanocrystals have found applications in photovoltaics and other optoelectronic technologies because of their low toxicity and efficient light absorption into the near-infrared. Herein, we report the discovery of a metastable wurtzite-like polymorph of Cu 2 FeSnSe 4 , a member of the I 2 -II-IV-VI 4 family of semi-conductors containing only Earth-abundant metals. Density functional theory calculations on this metastable poly-morph of Cu 2 FeSnSe 4 indicate that it may be a superior semiconductor for solar energy and optoelectronics applications compared to the thermodynamically preferred stannite polymorph, since the former displays a sharper dispersion of energy levels near the conduction band minimum that can enhance electron mobility and suppress hot electron cooling. The experimental optical band gap was measured by the inverse logarithmic derivative method to be direct, in agreement with theory, and in the range of 1.48-1.59 eV. Mechanistic studies reveal that this metastable phase de-rives from intermediate Cu 3 Se 2 nanocrystals that serve as a structural template for the final hexagonal wurtzite-like product. We compare the chemistry of wurtzite-like Cu 2 FeSnSe 4 to the related CuFeSe 2 material system. Our experimental and computational comparisons between Cu 2 FeSnSe 4 and CuFeSe 2 help explain both the crystal chemistry of CuFeSe 2 that prevents it from forming wurtzite-like polymorphs and the essential role of Sn in stabilizing the metastable structure of Cu 2 FeSnSe 4 . Furthermore, this work provides insight into the importance of elemental composition when designing syntheses for metastable materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2019

Pre-Demonstration Development of Controlled-Release Corrosion Inhibitors and Healing Agents as Alternatives to Hexavalent Chromium

This Limited Scope Study was directed to achieve the following objectives: (1) Scale-up of materials that can meet MIL-PRF-23377 (solvent-based primer). (2) Provide evidence of resistance to aircraft alkaline cleaners and de-icing fluids. (3) Provide formulation for initial ecological and toxicity screening. (4) Submit an interim report that will provide the basis for a future ESTCP (the Dept. of Defense's (DoD's) Environmental Security Technology Certification Program) demonstration effort.The encapsulation procedure for two corrosion inhibitors was scaled up from lab scale to 2.0 kilograms. This scale will accommodate high volume production of coatings with encapsulated corrosion inhibitors for large surface areas during a follow-on ESTCP demonstration effort. Test results provided evidence of resistance to alkaline cleaners and aircraft de-icing fluids and compliance with MIL-PRF-23377. All the MIL-PRF-23377 requirements were met with the exception of the adhesion requirement, in top coated panels, and the flexibility requirement. Work on solving these two problems will be done prior to validation and demonstration of the technology. An initial ecological and toxicity screening identified several factors that were not critical to the acceptance of the encapsulated corrosion inhibitor. This new technology will lead to environmentally friendly alternatives to hexavalent chromium that will enable DoD to protect its assets. Field demonstration, licensing, qualification, and commercialization will allow its real world utilization. Abstract for Appendix A. Toxicology Report: Corrosion controls a significant problem for military equipment. Many surface treatment materials currently in use on items of military or aerospace materiel contain chromium (VI) as a component, a source of significant human health and environmental hazard. The formulation under evaluation contains no chromium. Most of the proposed components are low to moderate toxicity and are not a significant concern. Two of the formulation components are associated with some cancer hazard - 2-mercaptobenzothiazole and formaldehyde, but both find widespread use in industry and additional investigation is not required for this project.

Calle, Luz Marina↗
DOE OSTI2023

Upcycling and urban mining for nanomaterial synthesis

Responsible processing of complex waste streams, especially through resource recovery and upgrading, is essential to lessen the environmental and societal impacts of materials production and disposal. Upcycling waste into materials that have higher value than their original form, and urban mining, the recovery of metals from electronic waste, are two recent strategies in waste management. Sustainable cradle-to-grave manufacturing means recovering resources that would otherwise contaminate the planet. Here, we discuss upcycling of plastic, rubber, and related carbon waste streams into graphene, as well as the recovery of precious metals and rare earth elements, while removing toxic heavy metals, all using flash Joule heating. Furthermore, this article provides a brief overview of the current state of upcycling and urban mining as it applies to materials conversion, recovery, or nanomaterial synthesis, with a concluding perspective highlighting the considerations, opportunities, and challenges that accompany upcycling and urban mining research.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Automated bidirectional coupling of multiscale models of aerosol dosimetry: Validation with subject-specific deposition data

Assessing the toxicity of airborne particulate matter or the efficacy of inhaled drug depends upon accurate estimates of deposited fraction of inhaled materials. In silico approaches can provide important insights into site- or airway-specific deposition of inhaled aerosols in the respiratory system. In this study, we improved on our recently developed 3D/1D model that simulate aerosol transport and deposition in the whole lung over multiple breath cycles. A subject-specific multiscale lung model of a healthy male subject using computational fluid-particle dynamics (CFPD) in a 3D model of the oral cavity through the large bronchial airways entering each lobe was bidirectionally coupled with a recently improved Multiple Path Particle Dosimetry (MPPD) model to predict aerosol deposition over the entire respiratory tract over multiple breaths for four conditions matching experimental aerosol exposures in the same subject from which the model was developed. These include two particle sizes (1 and 2.9 μm) and two subject-specific breathing rates of ~300 ml/s (slow breathing) and ~750 ml/s (fast breathing) at a target tidal volume of 1 L. In silico predictions of retained fraction were 0.31 and 0.29 for 1 μm and 0.66 and 0.62 for 2.9 μm during slow and fast breathing, respectively, and compared well with experimental data (1 μm: 0.31 ± 0.01 (slow) and 0.27 ± 0.01 (fast), 2.9 μm: 0.63 ± 0.03 (slow) and 0.68 ± 0.02 (fast)). Furthermore, these results provide a great deal of confidence in the validity and reliability of our approach.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Characterization of SDU 6 Sump Water Samples

This report details results from characterization of the Saltstone Disposal Unit 6 (SDU 6) East Sump water samples. In March of 2022, Saltstone Radiation Protection Department (RPD) personnel reported SDU 6 East Sump beta/gamma radiation levels at ~ 33 dpm/mL (~ 15 pCi/mL) beta/gamma in excess of the water sampling limit of 16 dpm/mL (7.2 pCi/mL). Replicate samples obtained from the SDU 6 East Sump were sent to the Savannah River National Laboratory (SRNL) for analysis to include pH, limited anions, toxic metals and radionuclides. Subsequent sump samples associated with SDU 7 that has not yet been filled with any radioactive material were also analyzed at SRNL for both nitrate and nitrite.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1969

The relationship of NASA occupational medicine and environmental health with the Advisory Center on Toxicology

Preventive measures of occupational medicine and industrial hygiene are coordinated to identify toxicities of industrial products and safety standards in manned space flight applications. Emphasized is the off-gassing of construction materials in spacecraft with the resulting contamination of the cabin atmosphere and the establishment of criteria for the quality of drinking water for astronauts during Gemini and Apollo programs.

Wands, R. C.↗
NASA NTRS1982

Fireworthiness of transport aircraft interior systems

The fire worthiness of air transport interiors was evaluated. The effect of interior systems on the survival of passengers and crew in an uncontrolled transport aircraft fire is addressed. Modification of aircraft interior subsystem components which provide improvements in aircraft fire safety are examined. Three specific subsystem components, interior panels, seats and windows, offer the most immediate and highest payoff by modifying interior materials of existing aircrafts. It is shown that the new materials modifications reduce the fire hazards because of significant reduction in their characteristic flame spread, heat release, and smoke and toxic gas emissions.

Parker, J. A.↗
NASA NTRS1985

An analysis of doping modulated superlattice structures

A new method of growing doping modulated superlattice structures is discussed. This method uses organo-metallic chemical vapor deposition (MO-CVD) with the added feature of controlled plasma in the growth regions. The main objective was to study how the growth environment affected the electronic and optical properties of the superlattice structures. Because a serious safety hazard was discovered in the growth process, no superlattice structures were fabricated and the research on this material had to be terminated. The hazard had to do with the lack of adequate means for the disposal of toxic elemental beryllium.

Buoncristiani, A. M.↗
DOE OSTI2020

Dopants, Isotope, Pressure and Lead Sequestration for Hybrid Perovskite Materials

Dopants, Isotope, Pressure and Lead Sequestration for Hybrid Perovskite Materials The soaring power conversion efficiency (PCE) of solution process-based organic-inorganic hybrid perovskites solar cells (PSCs) assures their membership in the competitive photovoltaic technologies. However, stability, toxicity and scalability are the three grand challenges that still impedes the market adoption of PSCs. Careful fundamental studies on how their fascinating optoelectronic properties is related to their structures may provide leads to these challenges and also spin off new applications. In this talk, I will present our recent study on the dopants, isotope and pressure effects on hybrid perovskite materials (HPMs). We discovered an interesting bipolar electron injection in LiCl-doped MAPbI 3 -based UV detectors that respond to the energy of UV photons in distinguished photocurrents polarity. We also investigated how the underline interaction between the mass of the cationic rotors and the inorganic lattice in HPMs by isotope effect. In-situ synchrotron X-ray and time-resolved photoluminescence revealed abnormal optoelectronic properties of HPMs by modulating their bond angles and bond lengths using high pressure techniques. Moreover, I will also discuss our new technology to sequestrate lead leakage on perovskite solar cells that can absorb >99% leaked Pb ions under severe device damge while without sacrificing the PCE under normal operational conditions.

Xu, Tao↗
NASA NTRS2011

Managing Toxicological Risks: The Legacy of Shuttle Operations

Space toxicology greatly matured as a result of research and operations associated with the Shuttle. Materials offgassing had been a manageable concern since the Apollo days, but we learned to pay careful attention to compounds that could escape containment, to combustion events, to toxic propellants, to overuse of utility compounds, and to microbial and human metabolites. We also learned that flying real-time hardware to monitor air pollutants was a pathway with unanticipated speed bumps. Each new orbiter was tested for any excess offgassing products that could pollute the air during flight. In the late 1990s toxicologists and safety experts developed a 5-level toxicity rating system to guide containment of toxic compounds. This system is now in use aboard the International Space Station (ISS). Several combustion events during Shuttle Mir and also during Shuttle free-flight impelled toxicologists to identify hardware capable of monitoring toxic products; however, rapid adaptation of the hardware for the unique conditions of spaceflight caused unexpected missteps. Current and planned combustion analyzers would be useful to commercial partners that wish to manage the risk of health effects from thermal events. Propellants received special attention during the Shuttle program because of the possibility of bringing them into the habitable volume on extravehicular activity suits. Monitors for the airlocks were developed to mitigate this risk. Utility materials, such as lubricants, posed limited toxicological problems because water was not recovered. One clearly documented case of microbial metabolites polluting the Shuttle atmosphere was noted, and this has implications for commercial flights and control of microbes. Finally, carbon dioxide, the major human metabolite, episodically presented air quality problems aboard Shuttle, especially when nominal air flows were obstructed. Commercial vehicles must maintain robust air circulation given the anticipated high density of human occupants.

James, John T.↗
DOE OSTI2024

A Review of Nanocarbon-Based Anode Materials for Lithium-Ion Batteries

Renewable and non-renewable energy harvesting and its storage are important components of our everyday economic processes. Lithium-ion batteries (LIBs), with their rechargeable features, high open-circuit voltage, and potential large energy capacities, are one of the ideal alternatives for addressing that endeavor. Despite their widespread use, improving LIBs’ performance, such as increasing energy density demand, stability, and safety, remains a significant problem. The anode is an important component in LIBs and determines battery performance. To achieve high-performance batteries, anode subsystems must have a high capacity for ion intercalation/adsorption, high efficiency during charging and discharging operations, minimal reactivity to the electrolyte, excellent cyclability, and non-toxic operation. Group IV elements (Si, Ge, and Sn), transition-metal oxides, nitrides, sulfides, and transition-metal carbonates have all been tested as LIB anode materials. However, these materials have low rate capability due to weak conductivity, dismal cyclability, and fast capacity fading owing to large volume expansion and severe electrode collapse during the cycle operations. Contrarily, carbon nanostructures (1D, 2D, and 3D) have the potential to be employed as anode materials for LIBs due to their large buffer space and Li-ion conductivity. However, their capacity is limited. Blending these two material types to create a conductive and flexible carbon supporting nanocomposite framework as an anode material for LIBs is regarded as one of the most beneficial techniques for improving stability, conductivity, and capacity. This review begins with a quick overview of LIB operations and performance measurement indexes. It then examines the recently reported synthesis methods of carbon-based nanostructured materials and the effects of their properties on high-performance anode materials for LIBs. These include composites made of 1D, 2D, and 3D nanocarbon structures and much higher Li storage-capacity nanostructured compounds (metals, transitional metal oxides, transition-metal sulfides, and other inorganic materials). The strategies employed to improve anode performance by leveraging the intrinsic features of individual constituents and their structural designs are examined. The review concludes with a summary and an outlook for future advancements in this research field.

25 ENERGY STORAGE↗
DOE OSTI2024

A reactive molecular dynamics model for uranium/hydrogen containing systems

Uranium-based materials are valuable assets in the energy, medical, and military industries. However, understanding their sensitivity to hydrogen embrittlement is particularly challenging due to the toxicity of uranium and the computationally expensive nature of quantum-based methods generally required to study such processes. In this regard, we have developed a Chebyshev Interaction Model for Efficient Simulation (ChIMES) that can be employed to compute energies and forces of U and UH3 bulk structures with vacancies and hydrogen interstitials with accuracy similar to that of Density Functional Theory (DFT) while yielding linear scaling and orders of magnitude improvement in computational efficiency. Here, we show that the bulk structural parameters, uranium and hydrogen vacancy formation energies, and diffusion barriers predicted by the ChIMES potential are in strong agreement with the reference DFT data. We then use ChIMES to conduct molecular dynamics simulations of the temperature-dependent diffusion of a hydrogen interstitial and determine the corresponding diffusion activation energy. Our model has particular significance in studies of actinides and other high-Z materials, where there is a strong need for computationally efficient methods to bridge length and time scales between experiments and quantum theory.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Lead-Free Cs 4 CuSb 2 Cl 12 Layered Double Perovskite Nanocrystals

Concerns about the toxicity of lead-based perovskites have aroused great interest for the development of alternative lead-free perovskite-type materials. Recently, theoretical calculations predict that Pb 2+ cations can be substituted by a combination of Cu 2+ and Sb 3+ cations to form a vacancy-ordered layered double perovskite structure with superior optoelectronic properties. However, accessibilities to this class of perovskite-type materials remain inadequate, hindering their practical implementations in various applications. Here, we report the first colloidal synthesis of Cs 4 CuSb 2 Cl 12 perovskite-type nanocrystals (NCs). The resulting NCs exhibit a layered double perovskite structure with ordered vacancies and a direct bandgap of 1.79 eV. A composition-structure-property relationship has been established by investigating a series of Cs 4 Cu x Ag 2-2x Sb 2 Cl 12 perovskite-type NCs (0 ≤ x ≤ 1). The composition-induced crystal structure transformation, thus the electronic bandgap evolution has been explored by experimental observations and further confirmed by theoretical calculations. Taking advantages of both the unique electronic structure and solution processability, we demonstrate that the Cs 4 CuSb 2 Cl 12 NCs can be solution-processed as high-speed photodetectors with ultrafast photo-response and narrow bandwidth. We anticipate that our study will prompt future research to design and fabricate novel and high-performance lead-free perovskite-type NCs for a range of applications.

25 ENERGY STORAGE↗
NASA NTRS1977

Toxicological aspects of the Skylab program

A current state-of-the-art trace gas removal technology is demonstrated that provides for carbon monoxide removal through an outgassing screening program for nonmetallic materials of the Skylab cabin interior. Material selection included both outgassing data and LD sub 50 information, as well as chemical analyses on pyrolysis products to prevent toxic inhalation exposures of spacecrews.

Rippstein, W. J., Jr.↗
NASA NTRS2001

Experiments Developed to Study Microgravity Smoldering Combustion

The overall objective of the Microgravity Smoldering Combustion (MSC) research program is to understand and predict smoldering combustion under normal and microgravity (near-zero-gravity) conditions to help prevent and control smolder-originated fires, in both environments. Smoldering is defined as a nonflaming, self-sustaining, propagating, exothermic surface reaction. If a material is sufficiently permeable, smoldering is not confined to its outer surface, but can propagate as a reaction wave through the interior of the material. The MSC program will accomplish its goals by conducting smolder experiments on the ground and in a space-based laboratory, and developing theoretical models of the process. Space-based experiments are necessary because smoldering is a very slow process and, consequently, its study in a microgravity environment requires extended periods of time that can only be achieved in space. Smoldering can occur in a variety of processes ranging from the smolder of porous insulating materials to underground coal combustion. Many materials can sustain smoldering, including wood, cloth, foams, tobacco, other dry organic materials, and charcoal. The ignition, propagation, transition to flaming, and extinction of the smolder reaction are controlled by complex, thermochemical mechanisms that are not well understood. As with many forms of combustion, gravity affects the availability of the oxidizer and the transport of heat, and therefore, the rate of combustion. The smoldering combustion of porous materials has been studied both experimentally and theoretically, usually in the context of fire safety. Smoldering encompasses a number of fundamental processes, including heat and mass transfer in a porous media; endothermic pyrolysis of combustible material; ignition, propagation, and extinction of heterogeneous exothermic reactions at the solid-gas pore interface; and the onset of gas phase reactions (flaming) from existing surface reactions. Smoldering presents a serious fire risk because the combustion can propagate slowly in a material's interior and go undetected for long periods of time. It typically yields a substantially higher conversion of fuel to toxic compounds than does flaming (though more slowly), and may undergo a sudden transition to flaming.

Vergilii, Franklin↗
DOE OSTI2020

Ghostbusters for Batteries

End-of-life lithium-ion batteries are Class 9 hazardous materials due to flammability of electrolyte and lithium. It is why the transportation cost ranges from $2.49/kg - $7.20/kg for civilian and defense disposition, that is over 50% of the cost of recycling. Damaged batteries have many times greater transportation cost. Dead batteries require costly bunker-storage that occupies real estate and personnel that could be used for productive purposes. Insurance is expensive and accidents are almost assured even with relatively low volumes of waste. Tipping fees on top of this adds an unpredictable, inflated cost for the EV industry, which is very cost sensitive for survival. Transforming lithium-ion into a class of non-hazardous material reduces transportation cost to $0.10/kg, providing a value opportunity of ~$2/kg to ~$6/kg for civilian and defense disposition respectively. OnTo can eliminate the risk of thermal runaway with a brief, non-toxic treatment to eliminate flammability and toxic risks in most any battery, except Pb, which is inherently toxic. With the service, OnTo also can provide rigorous certainty that cells are rendered inert. OnTo’s patented and patent pending deactivation technology improves the cost and safety for disposition of end-of-life lithium-ion battery packs and cells. Deactivation uses non-toxic chemical processing to remove inherent risks in lithium-ion and other primary and secondary chemistries. The technology has been demonstrated and developed through DOE contract with OnTo Technology LLC (EE0008475).

25 ENERGY STORAGE↗