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At least 91 records · Page 5

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NASA NTRS2001

Effects of Flame Structure and Hydrodynamics on Soot Particle Inception and Flame Extinction in Diffusion Flames

This paper summarizes recent studies of the effects of stoichiometric mixture fraction (structure) and hydrodynamics on soot particle inception and flame extinction in diffusion flames. Microgravity experiments are uniquely suited for these studies because, unlike normal gravity experiments, they allow structural and hydrodynamic effects to be independently studied. As part of this recent flight definition program, microgravity studies have been performed in the 2.2 second drop tower. Normal gravity counterflow studies also have been employed and analytical and numerical models have been developed. A goal of this program is to develop sufficient understanding of the effects of flame structure that flames can be "designed" to specifications - consequently, the program name Flame Design. In other words, if a soot-free, strong, low temperature flame is required, can one produce such a flame by designing its structure? Certainly, as in any design, there will be constraints imposed by the properties of the available "materials." For hydrocarbon combustion, the base materials are fuel and air. Additives could be considered, but for this work only fuel, oxygen and nitrogen are considered. Also, the structure of these flames is "designed" by varying the stoichiometric mixture fraction. Following this line of reasoning, the studies described are aimed at developing the understanding of flame structure that is needed to allow for optimum design.

Axelbaum, R. L.↗

DOE OSTI2021

Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1

The rise of antibiotic resistance calls for new therapeutics targeting resistance factors such as the New Delhi metallo-β-lactamase 1 (NDM-1), a bacterial enzyme that degrades β-lactam antibiotics. We present structure-guided computational methods for designing peptide macrocycles built from mixtures of l - and d -amino acids that are able to bind to and inhibit targets of therapeutic interest. Our methods explicitly consider the propensity of a peptide to favor a binding-competent conformation, which we found to predict rank order of experimentally observed IC 50 values across seven designed NDM-1- inhibiting peptides. We were able to determine X-ray crystal structures of three of the designed inhibitors in complex with NDM-1, and in all three the conformation of the peptide is very close to the computationally designed model. In two of the three structures, the binding mode with NDM-1 is also very similar to the design model, while in the third, we observed an alternative binding mode likely arising from internal symmetry in the shape of the design combined with flexibility of the target. Although challenges remain in robustly predicting target backbone changes, binding mode, and the effects of mutations on binding affinity, our methods for designing ordered, binding-competent macrocycles should have broad applicability to a wide range of therapeutic targets.

42 ENGINEERING↗

DOE OSTI2024

Insights into Preceramic Polymer-Based Additive Manufacturing Inks via Rheological and Scattering Studies of Preceramic Polymer-Grafted Nanoparticles Suspended in Polycarbosilane

Preceramic polymers (PCPs) offer advantages in producing ceramics due to their processability and ability to tailor the final chemistry of the produced material. However, challenges such as volumetric shrinkage and mass loss during pyrolysis often result in polymer-derived ceramics containing pores and cracks. PCP-grafted ceramic nanoparticles (PCPGNPs) have been proposed and studied as a route to mitigate the shrinkage issues associated with neat PCPs. Prior studies on PCPGNPs have principally focused on the synthesis and characterization of neat materials. Dispersing PCPGNPs in commercial preceramic polymer is another attractive, but underexplored, route to control the rheological and char yield properties of PCP systems. In this work, a systematic rheological study of commercial PCP (SMP-877) and PCPGNP (silica with poly(1,1-dimethylpropylsilane) corona) mixtures was executed to develop design rules for the processing of such systems. A rheological study demonstrated the effect of increasing particle concentration on network formation with percolation occurring between 50 and 60 wt %. Samples above the percolation threshold exhibited higher viscosities and rapid shear thinning thus demonstrating their direct-write printability. X-ray photon correlation spectroscopy (XPCS) corroborated the rheology and showed two diffusive modes when the material was above percolation. Mixtures of PCPGNPs and SMP-877 had synergistically higher char yields upon thermal treatment and pyrolysis. XPCS and rheological measurements during thermal treatment identified thermal jamming of the polymer grafts as a key factor in improving the char yield. In conclusion, with the insights gained here, we expect these mixed systems to provide attractive feedstocks for polymer-derived ceramics, with proof-of-principal application as feedstocks for direct ink write (DIW) additive manufacturing.

36 MATERIALS SCIENCE↗

NASA NTRS2006

Stainless Steel NaK Circuit Integration and Fill Submission

The Early Flight Fission Test Facilities (EFF-TF) team has been tasked by the Marshall Space Flight Center Nuclear Systems Office to design, fabricate, and test an actively pumped alkali metal flow circuit. The system, which was originally designed to hold a eutectic mixture of sodium potassium (NaK), was redesigned to hold lithium; but due to a shift in focus, it is once again being prepared for use with NaK. Changes made to the actively pumped, high temperature loop include the replacement of the expansion reservoir, addition of remotely operated valves, and modification of the support table. Basic circuit components include: reactor segment, NaK to gas heat exchanger, electromagnetic (EM) liquid metal pump, load/drain reservoir, expansion reservoir, instrumentation, and a spill reservoir. A 37-pin partial-array core (pin and flow path dimensions are the same as those in a full design) was selected for fabrication and test. This document summarizes the integration and fill of the pumped liquid metal NaK flow circuit.

Garber, Anne E.↗

NASA NTRS1991

Design issues for propulsion systems using metallized propellants

Metallized propellants are liquid propellants that contain metal particles. These particles are suspended in a gelled fuel or oxidizer. Aluminum is used as the metal additive. The addition of metal to conventional propellants can increase their specific impulse and their density over conventional propellants, and consequently, the payload delivered on Mars and lunar transportation vehicles, Earth-to-Orbit vehicles and upper stages for robotic planetary missions. Gelled fuels also provide increased safety during accidental propellant leakage or spills. To take full advantage of these potential performance increases, there are changes that must be made to the vehicle design. The differences are discussed between metallized propellant and traditional liquid propellants and their effect on the propulsion system design. These differences include the propellant density, mixture ratio, engine performance, and propellant rheology. Missions related to the Space Exploration Initiative are considered as design examples to illustrate these issues.

Palaszewski, Bryan↗

NASA NTRS1991

Design issues for propulsion systems using metallized propellants

Palaszewski, Bryan↗

DOE OSTI2022

Structurally Defined Water‐Soluble Metallofullerene Derivatives towards Biomedical Applications

Abstract Endohedral metallofullerenes (EMFs) are excellent carriers of rare‐earth element (REE) ions in biomedical applications because they preclude the release of toxic metal ions. However, existing approaches to synthesize water‐soluble EMF derivatives yield mixtures that inhibit precise drug design. Here we report the synthesis of metallobuckytrio (MBT), a three‐buckyball system, as a modular platform to develop structurally defined water‐soluble EMF derivatives with ligands by choice. Demonstrated with PEG ligands, the resulting water‐soluble MBTs show superb biocompatibility. The Gd MBTs exhibit superior T 1 relaxivity than typical Gd complexes, potentially superseding current clinical MRI contrast agents in both safety and efficiency. The Lu MBTs generated reactive oxygen species upon light irradiation, showing promise as photosensitizers. With their modular nature to incorporate other ligands, we anticipate the MBT platform to open new paths towards bio‐specific REE drugs.

Li, Yanbang↗

DOE OSTI2022

Structurally Defined Water‐Soluble Metallofullerene Derivatives towards Biomedical Applications

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Molar Absorptivities of U(VI), U(IV), and Pu(III) in Nitric Acid Solutions of Various Concentrations Relevant to Developing Nuclear Fuel Recycling Flowsheets

Testing of a co-decontamination (CoDCon) tributyl phosphate (TBP) based solvent extraction flowsheet is being performed to optimize conditions for achieving a target U/Pu ratio in the Pu-containing product. The flowsheet is designed to directly produce a mixture of U and Pu with a U/Pu mass ratio of 7/3. The system is monitored in real time using optical spectroscopy, which allows for control of the U/Pu ratio in the aqueous U/Pu nitrate product. On-line spectrophotometric monitoring of the aqueous stream at the reductive stripping step involves determination of U(VI), U(IV) and Pu(III) concentrations and relies on molar absorptivities of these species in nitric acid at a number of wavelengths corresponding to their peaks’ maxima. The magnitudes of these molar absorptivities are a sensitive function of nitric acid concentration and have to be determined as precisely as possible using an off-line spectrophotometry under well controlled conditions. This step (called training set acquisition) is typically performed not in a high contamination area of radiological glovebox where flow-through cells and other on-line equipment are installed but in a less aggressive environment of a radiological fume hood with much better control of stock solutions quality, dilution factors, optical absorbance scale calibration, etc. This is followed by the calibration transfer between the off-line instrument and the instrument deployed during extraction and stripping runs. This paper reports values of molar absorptivities of U(VI), U(IV), and Pu(III) in nitric acid solution of 0.5 M to 4 M concentration and compares them with available technical literature data. Results of off-line spectrophotometric analysis of selected aqueous grab samples from one of CoDCon runs show satisfactory agreement with total uranium and plutonium concentrations determined in the same samples by ICP-MS.

Sinkov, Sergey I.↗

NASA NTRS1979

Adhesives for bonding RSI tile to GrPI structure for advanced space transportation systems

A system was developed for bonding RSI tiles to a graphite/polymide composite substrate which would withstand the full range of environmental conditions. The bonding system, designated RA59, consists of a mixture of glass (sesquisiloxane) resin in RTV 560 silicone. A significant number of data points for the RA59 are in the 65-psi failure range both when tested, and after exposure to 700 F. This is over two times the best shear and tensile values obtained with RV60 at this temperature. It is concluded that with a thorough understanding of the critical parameters involved, the higher values should be obtained consistently with the RA59. This is of particular significance if higher strength tiles were to be used in a hard-bonded configuration.

Smith, K. E.↗

NASA NTRS1982

Zoological effects of variations in atmospheric oxygen levels

The role of certain gene enzymes in survival in modified atmospheres was examined. Chromosome morphology was studied. Mortality and life span were measured. Equipment to deliver various gas mixtures to the flies was designed and fabricated. To study the gene enzymes a technique called starch gel electrophoresis was needed. Equipment and supplies for this work and the study of chromosome morphology was available on the market, although some of the equipment was fabricated to save the project money.

Kloek, G.↗

NASA NTRS1985

Compatible atmospheres for a space suit, Space Station, and Shuttle based on physiological principles

Fundamental physiological principles have been invoked to design compatible environments for a space suit, Space Station and the spacecraft used to transport the astronauts from earth. These principles include the long-term memory of tissues for a bubble-provoking decompression, the intermittent nature of blood flow in the tight connective tissue(s) responsible for the bends whose incidence in aviators has been shown to be related to bubble volume by the Weibull distribution. In the overall design an astronaut breathing a mixture of 30 percent O2 in N2 for 4-5 h in a spacecraft at 11.9 psia can transfer to a Space Station filled with the same mix at 8.7 psia and, after a further 4-5 h, go EVA at any time without any oxygen prebreathing at any stage. The probable incidence of decompression sickness has been estimated as less than 0.5 percent using the present suit operating at 4.3 psia but the risk could be reduced to zero if the suit pressure were increased to 6.5 psia.

Hills, B. A.↗

NASA NTRS2021

Regolith Adaptive Modification Systems (Rams) - Final Report

Establishing human habitation on the Moon or Mars requires a palette of reaction chemistries for deconstructing extraterrestrial soils to extract structural metals, fuels, and propellants, as well as consolidating the soils into load-bearing forms. This report outlines progress related to the fundamental chemistry of in-situ resource utilization that is the focus of our Regolith Adaptive Modification System (RAMS) NIAC project. The RAMS concept is a breakthrough approach for preparing surfaces for early landing sites–and subsequent settlement operations–on the Lunar and Martian surface, among others. The RAMS concept is aligned with aspirations and capabilities of planned NASA Artemis mission. The approach is predicated on the sequential delivery of microcapsules onto lunar and Martian surfaces, which upon rupture, release payloads that react with regolith to yield geopolymerized subsurface slabs and surface high-strength steel skin and anchors . Through successively more exothermic reactions, we are seeking to build subsurface geopolymer slabs and use thermite reactions to constitute micro-alloyed advanced high-strength steel (AHSS) and Ti—Al—V pads on surfaces of planetary bodies, thereby circumventing the need for energy-intensive sintering technologies. As a precursor delivery system used to constitute landingpads, RAMS can be scaled for robotic, human-class, and more prominent (i.e., Starship) landers and will be configured within pressurized delivery systems that use radio beacons to outline coordinates for precision landings. Microcapsule delivery systems are designed to impel precursors (nanothermite mixtures and organosilanes), which activate in response to stress, heat, or impact to constitute deep geopolymerized slabs and AHSS skins. Dust mitigation is accomplished by reaction/solidification chemistry that yields a subsurface slab and advanced high-strength steel skin and anchors.

2021 NIAC Phase I↗

DOE OSTI2025

Solvated Electrons Have Multiple Personalities in Molten Salts

P-Crosscut: Solvated Electrons Have Multiple Personalities in Molten Salts [EFRC – MSEE] Alejandro Ramos-Ballesteros;1 Hung H. Nguyen;2 Kazuhiro Iwamatsu;3 Santanu Roy;4 Vyacheslav Bryantsev;4 Michael E. Woods;1 Ruchi Gakhar;1 Phillip Halstenberg;4 Bobby Layne;5 Jay A. LaVerne;6 Claudio J. Margulis:2* and James F. Wishart5* 1Idaho National Laboratory; 2The University of Iowa; 3Hunter College; 4Oak Ridge National Laboratory; 5Brookhaven National Laboratory; 6University of Notre Dame Abstract: The solvated (eS–) is a powerful reducing agent and one of the primary products of molten salt radiolysis. In these extreme high-temperature environments, the eS– can initiate cascades of redox processes that significantly alter the physical and chemical properties of a molten salt, posing challenges for molten salt reactor (MSR) performance and longevity. Consequently, mastering the fundamental behavior of the eS– could enable the design of specific molten salt mixtures with tailored Lewis acidities for controlling the speciation and chemical reactivity of the eS–, thereby mitigating its overall impact on MSR technologies. Here, we use time-resolved electron pulse radiolysis techniques for determining chemical kinetics and transient absorption spectra, combined with ab initio molecular dynamics simulations to explore the influence of multivalent metal cations on the fundamental speciation and distribution of eS– coordination environments.

38 - RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCL↗

DOE OSTI2025

Toward a Generalizable Prediction Model of Molten Salt Mixture Density with Chemistry‐Informed Transfer Learning

Optimally designing applications of molten salts requires knowledge of their thermophysical properties over a wide range of temperatures and compositions. There exist significant gaps in existing databases and this data can be challenging to experimentally measure due to high temperatures, salt corrosivity, and salt hygroscopicity. Existing databases have been used to create Redlich–Kister (RK) models for mixture density showing improved accuracy with respect to ideal mixing assumptions, but these models require subcomponent data measurements for each new system, therefore lacking generality. In order to address generalizability and data sparsity, a transfer learning procedure is proposed to train deep neural networks (DNNs) using a combination of semi‐empirical relationships (RK), data from the thermophysical arm of the molten salt thermal properties database and universal ab initio properties of component mixtures taken from the joint automated repository for various integrated simulations (JARVIS) classical force‐field inspired descriptors database to predict density in molten salts. Herein, it is shown that DNNs predict molten salt density with an r 2 over 0.99 and a mean absolute percentage error under 1%, outperforming alternative methods.

inorganic materials↗

DOE OSTI2023

Analyzing Distribution Transformer Degradation with Increased Power Electronic Loads

The influx of non-linear power electronic loads into the distribution network has the potential to disrupt the existing distribution transformer operations. They were not designed to mediate the excessive heating losses generated from the harmonics. To have a good understanding of current standing challenges, a knowledge of the generation and load mix as well as the current harmonic estimations are essential for designing transformers and evaluating their performance. In this paper, we investigate a mixture of essential power electronic loads for a household designed in PSCAD/EMTdc and their potential impacts on transformer eddy current losses and derating using harmonic analysis. Our findings reveal that in the presence of high power electronic loads (especially third harmonics), increasing PV generation may worsen transformer degradation. However, with a low amount of power electronic loads, additional PV generation helps to reduce the harmonic content in the current and improve transformer performance.

eddy current, harmonics, PV, THD, power transforme↗

DOE OSTI2023

Thermodynamic stability of xenon-doped liquid argon detectors

Liquid argon detectors are employed in a wide variety of nuclear and particle physics experiments. The addition of small quantities of xenon to argon modifies its scintillation, ionization, and electroluminescence properties and can improve its performance as a detection medium. However, a liquid argon-xenon mixture can develop instabilities, especially in systems that require phase transitions or that utilize high xenon concentrations. In this work, we analyze the causes of these instabilities and describe a small (liter-scale) apparatus with a unique cryogenic circuit specifically designed to handle argon-xenon mixtures. The system is capable of condensing argon gas mixed with $\mathscr{O}$ (1%) xenon by volume and maintains a stable liquid mixture near the xenon saturation limit while actively circulating it in the gas phase. We also demonstrate control over instabilities that develop when the detector condition is allowed to deviate from optimized settings. This progress enables future liquid argon detectors to benefit from the effects of high concentrations of xenon doping, such as more efficient detection of low-energy ionization signals. In conclusion, this work also develops tools to study and mitigate instabilities in large argon detectors that use low concentration xenon doping.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1993

Test results from a simple, low-cost, pressure-fed liquid hydrogen/liquid oxygen rocket combustor

A simple, low-cost rocket engine was designed, fabricated, and successfully hot fire tested over a wide range of interface conditions and operating parameters. The engine used low enthalpy hydrogen (45 to 70 R, 200 to 390 psia) and oxygen (139 to 163 R, 210 to 480 psia) propellants pressure-fed directly from facility cryogenic tanks. The engine demonstrated excellent performance, with 97% average combustion efficiency, and absence of combustion instabilities. Engine design chamber pressure was 300 psia, yielding about 16,500 pounds thrust at sea level with a 3:1 expansion ration test nozzle. The engine used a fixed-element injector based on TRW's unique coaxial pintle design, but was operated at 60%, 80%, and 100% thrust levels by throttling facility propellant valves. The engine was tested at propellant mixture ratios (O/F) from 5.8 to 8.4; design O/F was 6.6. To document combustion stability, in five tests RDX explosive pulse guns were detonated in radial and tangential directions across the combustion chamber during steady-state operation. The largest disturbance consisted of simultaneous detonation of a 20-grain radial gun and a 40-grain tangential gun. In no case was an instability, either feed system mode or chamber acoustic mode, excited. High-frequency piezoelectric pressure transducers documented stable recovery from disturbance overpressures within 40 milliseconds of peak pressure. A total of 67 firing tests, accumulating 149 seconds of firing time above 10% P(sub c), were performed. Since parametric testing required run durations of only 2 to 3 seconds, a heat sink combustion chamber was employed for most runs. To evaluate the feasibility of a low-cost ablative system for a flight engine design, one 20-second continuous firing was conducted with a silicone rubber chamber/throat/nozzle liner cast in one piece directly into the engine. The ablative engine operated at the equivalent of 309 seconds sea level specific impulse, when adjusted to a 98% efficient 6:1 expansion ration nozzle, and 430 seconds vacuum specific impulse, when adjusted to a 98% efficient 50:1 expansion ratio nozzle. This engine and test series represent an initial subscale demonstration of a new booster-class engine that eliminates the cost and complexity associated with regenerative cooling and typical engine cycles. This paper presents a description of the engine design and discussion and summary data plots of the performance measured during the parametric testing.

Dressler, G. A.↗