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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Interplanetary Radiation and Internal Charging Environment Models for Solar Sails

A Solar Sail Radiation Environment (SSRE) model has been developed for defining charged particle environments over an energy range from 0.01 keV to 1 MeV for hydrogen ions, helium ions, and electrons. The SSRE model provides the free field charged particle environment required for characterizing energy deposition per unit mass, charge deposition, and dose rate dependent conductivity processes required to evaluate radiation dose and internal (bulk) charging processes in the solar sail membrane in interplanetary space. Solar wind and energetic particle measurements from instruments aboard the Ulysses spacecraft in a solar, near-polar orbit provide the particle data over a range of heliospheric latitudes used to derive the environment that can be used for radiation and charging environments for both high inclination 0.5 AU Solar Polar Imager mission and the 1.0 AU L1 solar missions. This paper describes the techniques used to model comprehensive electron, proton, and helium spectra over the range of particle energies of significance to energy and charge deposition in thin (less than 25 micrometers) solar sail materials.

Minow, Joseph I.↗
DOE OSTI2017

Fe-containing nanocomposites based on a biocompatible copolymer 1-vinyl-1,2,4-triazole with N-vinylpyrrolidone

New polymer nanocomposites containing iron oxide nanoparticles stabilized with a biocompatible copolymer of 1-vinyl-1,2,4-triazole with N-vinylpyrrolidone were produced. The synthesis was conducted using the method of chemical reduction of iron ions with hydrazine hydrate in an aqueous medium in the presence of a polymer matrix. The ESR spectroscopy data showed that the core—shell type nanoparticles were obtained. The core generally consistsed of zero-valence iron coated with an oxide shell. According to the data of transmission electron microscopy, the obtained polymer nanocomposites consisted of nanoparticles of mainly spherical shape with a diameter from 1 to 14 nm. Aggregates formed from individual stabilized nanoparticles of up to 75 nm in size (in most cases) were also observed. These aggregated particles were found to self-organize and form branched chains. Nanocomposites were characterized by a different particle-size distribution, which was determined by the initial ratio of the copolymer and the precursor of iron nanoparticles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Modeling simultaneous particle shrinkage, dissolution and breakage using the modified moving grid technique

Simultaneous shrinkage, dissolution and breakage are important particle size reduction phenomena that characterize processes like the reactive degradation of solid chemicals. The dynamics of the particle size distribution (PSD) for such processes are non-trivial to model due to the number expending processes brought about by the eventual dissolution of particles. To this end, Population Balance Model (PBM) resolved through the sectional techniques is the natural approach. Here, we introduce a modified Moving Grid technique (m-MGT) to accurately resolve the particle size reduction phenomena. Our technique mimics the perpetual particle shrinkage through a continuously left-moving size grid and incorporates a strategic grid removal routine to capture the disappearance of particles. Coupled with the Fixed Pivot (FP) discretization for breakage, our m-MGT not only preserves the moment-related properties, but also benchmarked very well against the analytical number densities and exhibited a minimum of first-order convergence in all assessed case studies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Adsorption and Recovery of Polyphenolic Flavonoids Using TiO 2 -Functionalized Mesoporous Silica Nanoparticles

Exploiting specific interactions with titania (TiO 2 ) has been proposed for the separation and recovery of a broad range of biomolecules and natural products, including therapeutic polyphenolic flavonoids which are susceptible to degradation, such as quercetin. Functionalizing mesoporous silica with TiO 2 has many potential advantages over bulk and mesoporous TiO 2 as an adsorbent for natural products, including robust synthetic approaches leading to high surface area, stable separation platforms. Here, TiO 2 surface functionalized mesoporous silica nanoparticles (MSNPs) are synthesized and characterized as a function of TiO 2 content (up to 636 mg TiO2/g). The adsorption isotherms of two polyphenolic flavonoids, quercetin and rutin, were determined (0.05-10 mg/ml in ethanol), and a 100-fold increase in the adsorption capacity was observed relative to functionalized nonporous particles with similar TiO 2 surface coverage. An optimum extent of functionalization (approximately 440 mg TiO 2 /g particles) is interpreted from characterization techniques including grazing incidence x-ray scattering (GIXS), high resolution transmission electron microscopy (HRTEM) and nitrogen adsorption, which examined the interplay between the extent of TiO 2 functionalization and the accessibility of the porous structures. The recovery of flavonoids is demonstrated using ligand displacement in ethanolic citric acid solution (20% w/v), in which greater than 90% recovery can be achieved in a multistep extraction process. The radical scavenging activity (RSA) of the recovered and particle-bound quercetin as measured by 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assay demonstrates greater than 80% retention of antioxidant activity by both particle-bound and recovered quercetin. In conclusion, these mesoporous titanosilicate materials can serve as a synthetic platform to isolate, recover, and potentially deliver degradation-sensitive natural products to biological systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Characterizing the impact of finite matrix block size on conservative particle transport through three-dimensional fracture networks

Mass transfer of solutes between fractures and the surrounding rock matrix exerts a noticeable signature on the tail of travel time distributions. When the width of the matrix is assumed to be infinite and advective transport through the fracture is sufficiently fast, the tails of the travel time distributions exhibit a classically expected slope of ψ(t) ∝ t -3/2 . However, studies have yet to characterize how solute transfer between fractures via diffusion through finite matrix blocks influences the tail’s slope in three-dimensional fractured media. Here, in this study, we assess the impact of finite matrix block size on breakthrough curve shape at different spatio-temporal scales by con ducting particle tracking simulations in three-dimensional discrete fracture networks. We consider a variety of hydrodynamic and geostructural proper ties to determine their relative impact on the resulting travel time distributions. We observe that the impact of matrix diffusion through a finite block on travel time distributions is similar to that of an infinite matrix block when the fracture spacing is sufficiently large, matrix diffusion is relatively weak, or transport is considered at an early control plane distance. We observe that the converse of these conditions, results in deviations from the classical ψ(t) ∝ t -3/2 scaling. These results provide a first step toward developing a metric to assess when finite block size effects are expected to significantly influence transport.

58 GEOSCIENCES↗
DOE OSTI2024

Archive of AGR-5/6/7 Particle Radiographs for Identification of Particles with Defective IPyC

As a part of fuel quality control characterization, 2D radiographs of large numbers of particles produced by the Advanced Gas Reactor Fuel Development and Qualification (AGR) Program’s AGR-5/6/7 irradiation were acquired. These radiographs were used for the identification of particles with excessive uranium dispersion from the kernel into the surrounding buffer layer caused by chlorine infiltration through a defective inner pyrolytic carbon (IPyC) layer during silicon carbide (SiC) deposition. Additional features of interest associated with fabrication anomalies were also catalogued. Raw radiography images, along with the noted defective IPyC defects found by analysis at Oak Ridge National Laboratory are reported herein.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Graviton topology

Over the past three decades, it has been shown that discrete and continuous media can support topologically nontrivial waves. Recently, it was shown that the same is true of the vacuum, in particular, right (R) and left (L) circularly polarized photons are topologically nontrivial. Here, we study the topology of another class of massless particles, namely gravitons. We show that the collection of all gravitons forms a topologically trivial vector bundle over the lightcone, allowing us to construct a globally smooth basis for gravitons. The graviton bundle also has a natural geometric splitting into two topologically nontrivial subbundles, consisting of the R and L gravitons. The R and L gravitons are unitary irreducible bundle representations of the Poincaré group, and are thus elementary particles; their topology is characterized by the Chern numbers ∓4. This nontrivial topology obstructs the splitting of graviton angular momentum into spin and orbital angular momentum.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2002

Bi-Component Droplet Combustion Experiment Designed

The combustion of liquid fuels is a major source of energy in the world today, and the majority of these fuels are burned in the form of a spray. The research at the NASA Glenn Research Center in droplet combustion has the overall goal of providing a better understanding of spray combustion by studying the smallest element in a spray, the single droplet. The Bi-Component Droplet Combustion Experiment (BCDCE) extends the work at Glenn from pure, or single-component, fuels to an idealized liquid fuel composed of two completely miscible components. The project is a collaborative effort between Glenn and Prof. B.D. Shaw of the University of California, Davis. The BCDCE project is planned to fly onboard the International Space Station in the Multi-User Droplet Combustion Apparatus. The unique feature of this experiment is that it will be the first droplet combustion experiment to perform a detailed characterization of the flow inside a liquid fuel droplet. The experiment will use a relatively new technique called Digital Particle Imaging Velocimetry (DPIV) to characterize the liquid flow. In this technique, very small (approx. 5-mm diameter) particles are dispersed throughout a liquid droplet. These particles are illuminated by a thin laser sheet. Images of the particle motion are recorded on a computer, which then tracks the motion of the particles to determine the flow characteristics.

Dietrich, Daniel L.↗
DOE OSTI2026

Single-particle chemical analysis reveals organic-rich detonation soot products

The detonation of high explosives produces a wide variety of particulate matter (PM) with distinct properties, not all of which are traditionally studied for chemical composition, formation processes, and forensic applications. We report particle-resolved measurements of Composition B detonation soot using soot particle aerosol mass spectrometry (SP-AMS), identifying carbonaceous species and metals not previously characterized on a single-particle basis. Results are combined with scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS) to enhance source-dependent signatures. Black carbon, including graphitic carbon and detonation nanodiamonds, contributed 50.5-71.4% of PM 2.5 mass, while 22.5-43.4% was non-refractory organic carbon, a previously overlooked component that exhibited a complex and varying composition. Detonations were performed with and without PMMA confinement and under steady and overdriven conditions. Distinct particles enriched with polycyclic aromatic hydrocarbons (PAHs) were observed in experiments utilizing confinement, with quantities dependent on manufacturing method. SEM-EDS validated SP-AMS findings of metals internally mixed with carbonaceous species and extended the particle size range to 100 µm. This work makes detecting non-refractory organics using single-particle techniques more feasible for detonation forensics and understanding high-energy soot formation. While this analysis uses offline sample collection, SP-AMS could be deployed for in-situ measurements of detonation PM 2.5 transported in the atmosphere.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Passivation-driven speciation, dealloying and purification

Thin passivating surface oxide layers on metal alloys form a dissipation horizon between dissimilar phases, hence harbour an inherent free energy and composition gradient. We exploit this gradient to drive order and selective surface separation (speciation), enabling redox-driven enrichment of the core by selective conversion of low standard reduction potential (E°) components into oxides. Additionally, coupling this oxide growth to volumetric changes during solidification allows us to create oxide crystallites trapped in a metal (‘ship-in-a-bottle’) or extrusion of metal fingerlings on the heavily oxidized particle. We confirm the underlying mechanism through high temperature X-ray diffraction and characterization of solidification-trapped particle states. We demonstrate that engineering the passivating surface oxide can lead to purification via selective dealloying with concomitant enrichment of the core, leading to disparate particle morphologies.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Assessing Stratospheric Aerosols Contamination Due to Space Activities

The life cycle of a spacecraft starts and ends in the atmosphere: it interacts with the atmosphere right after the launch and during the atmospheric reentry when it usually mostly ablates. Both phases induce emissions of gases and solid particles, providing a source of these components in the middle atmosphere. Little is known about the exact nature, composition and effects of these emissions on the atmosphere and climate, but their impact is expected to rise as more and more orbiting satellites are launched. Ever since the years 2000, the number of space rockets launched per year has increased by a factor 3 globally. At the same time, the number of satellites launched in orbit around the Earth per year has been multiplied by about 30. One may wonder whether changes in the anthropogenic material injected in the terrestrial stratosphere can be detected and what its influence may be. In order to study the cosmic dust particles arriving on Earth, the NASA Johnson Space Center (JSC) has been systematically collecting solid dust particles from the Earth’s stratosphere by aircraft equipped with dedicated particle collectors since 1981. So far, 25 catalogs have been published, covering campaigns of collection from 1981 to 2020, with a total of 5071 solid particles that have been preliminary characterized and curated. In this work, we use the preliminary classification of the dust particles. Based on SEM images and X-ray EDS composition the collected dust is separated into four groups: C (Cosmic), TCN (Terrestrial Contaminant Natural), TCA (Terrestrial Contaminant Artificial) and AOS (Aluminum Oxide Sphere). The AOS being mostly generated by solid rocket propellant, they also belong to the TCA class. Our analysis of the data published indicates that from 1980 to 2009 the cosmic dust particles typically represent on average 40% of the collection with TCA and TCN corresponding to about 30% each. In the recent years, the TCA fraction has doubled to about 60% of the collection (2010-2020). This increase in anthropogenic particles is likely due to the overall human space activity and its recent increase. We will present the properties of the solid stratospheric dust particles collected and their evolution with time. Future work will be dedicated to better classify the natural and anthropogenic particles collected and described in the existing databases. We will use numerical modelling to produce quantitative estimates of the injected mass, the lifetime of particles in the middle atmosphere (stratosphere) and the relative abundance of the anthropogenic particles with respect to the stratospheric background particle population.

J Lasue↗
DOE OSTI2025

LeaPP: Learning Pathways to Polymorphs through Machine Learning Analysis of Atomic Trajectories

Understanding the mechanisms underlying crystal nucleation and growth is crucial for many technological applications. Due to the short length and time scales involved, crystal nucleation is often studied using molecular simulations. Most existing approaches to extract the nucleation mechanism from simulations focus on the analysis of static snapshots of the configurations, potentially overlooking subtle local fluctuations and the history of the particles involved in the formation of solid nuclei. Here, in this work, we propose a novel methodology called LeaPP that categorizes nucleation trajectories based on the temporal information of their constituent particles. We leverage the time evolution of the local environment of the crystallizing particles to encapsulate the relationship between the structure and dynamics and distinguish between different evolving particle paths. Identification of the distinct particle paths further enables characterizing the nucleation trajectories into different pathways. Collectively, LeaPP provides a more nuanced understanding of nucleation through an unsupervised approach with lesser dependence on traditional order parameters. Furthermore, the pathways identified by LeaPP are predictive of the resulting polymorph. We demonstrate LeaPP on three different systems─Lennard-Jones-like particles, Ni 3 Al, and water on surfaces. The general methodology underlying LeaPP─considering the time evolution of the building blocks─applies to a wide range of self-assembly problems.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Cryogenic Gellant and Fuel Formulation for Metallized Gelled Propellants: Hydrocarbons and Hydrogen with Aluminum

An experimental program to determine the viability of nanoparticulate gellant materials for gelled hydrocarbons and gelled liquid hydrogen was conducted. The gellants included alkoxides (BTMSE and BTMSH) and silica-based materials. Hexane, ethane, propane and hydrogen were gelled with the newly-formulated materials and their rheological properties were determined: shear stress versus shear rate and their attendant viscosities. Metallized hexane with aluminum particles was also rheologically characterized. The propellant and gellant formulations were selected for the very high surface area and relatively-high energy content of the gellants. These new gellants can therefore improve rocket engine specific impulse over that obtained with traditional cryogenic-fuel gellant materials silicon dioxide, frozen methane, or frozen ethane particles. Significant reductions in the total mass of the gellant were enabled in the fuels. In gelled liquid hydrogen, the total mass of gellant was reduced from 10-40 wt percent of frozen hydrocarbon particles to less that 8 wt percent with the alkoxide.

Wong, Wing↗
NASA NTRS1994

Some considerations on velocity vector accuracy in dust trajectory analysis

The relative contributions of comets and asteroids to the reservoir of dust in the interplanetary medium is not known. There are direct observations of dust released from comets and there is evidence to associate the IRAS dust bands with possible collisions of asteroids in the main belt. A means towards sorting out the parent sources has been proposed in the establishment of a dust collector in orbit about the Earth. The purpose of such a facility would be to collect not only cosmic dust particles intact but also the state vectors, as they arrive at the detector, the idea being that one may combine analytical laboratory analysis of the physics and chemistry of the captured particles with orbital data in order to help distinguish between bodies and identify parent bodies. The theoretical study of dust particle orbits in the solar system takes on greatly more importance if we use collected trajectory data. The orbital motion of dust when radiation and forces alone are acting is well understood. When gravitational forces due to the planets are included, the motion can become quite complex. In order to characterize the orbits of particles as they crossed the Earth's orbits, a study of the long-time dust orbital evolution was undertaken. We have considered various parameters associated with these dust orbits to see if one may in a general way discriminate between particles evolved from comets and asteroids. We proceed in this study as we have done previously. That is, we considered the dust particles as ideal black bodies, of density 1 gm/cc, spherical, with radii 10-100 microns. Particles of this size are affected by radiation forces, photon pressure, and Poynting-Robertson drag. Account was also taken of solar wind drag, which amounts to about 30 percent of the Poynting-Robertson drag negligible. The gravitational forces due to the planets are included, unlike in our previous study; the planetary orbits are those of true n-body interaction so that the possibility of secular resonance is included. Our method was to calculate explicitly by a numerical procedure the orbits of dust particles after they left their parent bodies. The motion is determined numerically with the implicit Runge-Kutta integrator using Gauss-Radau spacings.

Jackson, A. A.↗
DOE OSTI2025

Effect of moisture ingression on material performance and particle generation in molten salts

This report summarizes activities conducted to understand and mitigate the negative consequences that moisture ingressions have upon the operations of pyroprocessing equipment. The objectives of the work conducted in FY25 were to characterize (1) the physicochemical properties of particles generated as a result of moisture ingressions, and (2) the corrosion of relevant structural materials with the introduction of moisture. Compositional and morphological analyses of the generated particles were conducted through a suite of characterization technologies, including X-ray diffraction, microscopy, and particle size analysis. The results gathered this year were compared to those obtained in FY24 when studies with oxygen ingressions were conducted on CeCl 3 -LiCl-KCl and UCl 3 -LiCl-KCl systems. Investigations involving performance evaluations of industrially relevant structural alloys were also conducted under moisture ingress conditions. In-line electrochemical monitoring of the bulk salt was augmented with microscopy of alloy samples to quantify the concentration and accumulation of corrosion products in the bulk salt. The results reported in this work provide a more holistic understanding of the effects of atmospheric ingressions on molten chloride salt chemistry such that effective redox control strategies may be implemented.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Effects of particle size, shape and loading rate on the normal compaction of an advanced granular ceramic

Compaction behavior of granular materials is influenced by strain rate, particle size, and shape. In this report, boron carbide powders with different particle sizes under uni-axial strain conditions are studied using quasi-static compression, dynamic Kolsky bar experiments and normal plate impact. A rounded powder is compacted to investigate the effect of particle shape. The normal plate impact technique is an excellent tool in characterization of powder compaction behavior up to strain rates of ~10 5 s -1 . From our experiments, granular boron carbide shows a highly compressible behavior with significant volume compaction. Constitutive responses are obtained for four powders. Particle fracture is identified as key deformation mechanism. Dynamic loading introduces more particle fragmentation than quasi-static loading. Morphological characterization of particle shapes shows that the deformation from powder compaction alters the particle shape distribution, which is also rate-dependent. Particle size, shape and strain rate effects on the normal stress are discussed accordingly.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Atomistic Simulations of the Elastic Compression of Platinum Nanoparticles

Abstract The elastic behavior of nanoparticles depends strongly on particle shape, size, and crystallographic orientation. Many prior investigations have characterized the elastic modulus of nanoscale particles using experiments or simulations; however their reported values vary widely depending on the methods for measurement and calculation. To understand these discrepancies, we used classical molecular dynamics simulation to model the compression of platinum nanoparticles with two different polyhedral shapes and a range of sizes from 4 to 20 nm, loaded in two different crystal orientations. Multiple standard methods were used to calculate the elastic modulus from stress-vs-strain data for each nanoparticle. The magnitudes and particle-size dependence of the resulting moduli varied with calculation method and, even for larger nanoparticles where bulk-like behavior may be expected, the effective elastic modulus depended strongly on shape and orientation. Analysis of per-atom stress distributions indicated that the shape- and orientation-dependence arise due to stress triaxiality and inhomogeneity across the particle. When the effective elastic modulus was recalculated using a representative volume element in the center of a large nanoparticle, the elastic modulus had the expected value for each orientation and was shape independent. It is only for single-digit nanoparticles that meaningful differences emerged, where even the very center of the particle had a lower modulus due to the effect of the surface. These findings provide better understanding of the elastic properties of nanoparticles and disentangle geometric contributions (such as stress triaxiality and spatial inhomogeneity) from true changes in elastic properties of the nanoscale material.

36 MATERIALS SCIENCE↗