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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Synchrotron-based measurement of aluminum agglomerates at motor conditions

Solid rocket propellant combustion is hindered by agglomeration of aluminum particles on its burning surface and determining the particle size has been a problem for half a century. The actual size of the agglomerates at motor pressures is unknown due to the opacity of the combustion plume, particularly at the elevated pressures seen in operational rocket motors. Sampling techniques can provide data at elevated pressure but may be biased due to the sampling method and do not provide information on the dynamics of agglomerate formation. Here this study uses time-resolved synchrotron x-ray imaging (with both absorption and phase contrast) to view aluminum agglomerate formation in situ at relevant rocket pressures. Finally, we have for the first time observed agglomerate formation at motor-relevant pressures in real time with unprecedented fidelity, providing critical data for understanding the combustion of aluminized solid rocket propellants.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A generalized analytical energy balance model for evaluating agglomeration from a binary collision of wet particles

Agglomeration of wet particles, i.e., particles coated with a thin liquid layer, is a common phenomenon in many processes like fluidized bed combustion of low rank fuels. The availability of an agglomeration model that can evaluate the outcome of a binary collision between wet particles differing in solid particle properties, liquid layer thicknesses, and initial collision (impact) speeds is essential for obtaining a comprehensive understanding on the existing processes experiencing wet particle agglomeration or for a successful development of new processes with high chances of wet particle agglomeration. This study presents a generalized agglomeration model on the basis of energy conservation before and after collision when colliding wet particles may differ in solid particle properties, liquid layer thicknesses, and impact speeds. The model was established based on the approximate values of energy losses that may happen during the collision. It incorporates body forces, solid-solid contacting, liquid capillary, and viscous contributions, as well as the liquid bridge volume effect. Predictions of the new model for collision outcomes of identical wet particles were like those from an analytical energy balance model developed recently by the group for identical wet particles. We also validated the new model by experimental data from literature. The results of a collision direction analysis indicated that the direction often has a minimal effect on the collision outcome in many practical scenarios. The results of Monte Carlo uncertainty analyses with the new model revealed that proper estimations of impact speed, under capillary limiting conditions, and thickness of coating layers and asperity heights, under viscous limiting conditions, are critical for the realistic prediction of collision outcomes at impact speeds close to critical impact speed, i.e., the minimum particle speed required for the particles to rebound.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Breakage of wet flexible fiber agglomerates impacting a plane

Abstract The breakage of an agglomerate of wet flexible fibers impacting a plane is computationally investigated in this work using the discrete element method. In the agglomerate, the fibers stick together due to cohesive liquid bridge forces. Agglomerate breakage with various impact conditions, initial configurations, fiber properties, and liquid bridge properties is systematically investigated. The degree of breakage is governed by the impact energy, the cohesion energy due to liquid bridges, the energy dissipation/absorption through fiber–fiber contacts and fiber deformation, and the efficiency of force transmission within the agglomerate. More specifically, breakage is promoted by increasing impact velocity, decreasing agglomerate size, increasing initial compaction, increasing fiber bending modulus, decreasing liquid surface tension, and decreasing liquid‐to‐solid volume ratio. Breakage is strongly dependent on the modified Weber number, that is, the ratio of the Weber number to a dimensionless rupture distance, which is a measure of the impact energy relative to the cohesion energy.

Yang, Jiecheng↗
DOE OSTI2025

Insights Into Thermal Runaway Mechanisms: Fast Tomography Analysis of Metal Agglomerates in Lithium-Ion Batteries

Thermal Runaway (TR) in lithium-ion batteries (LIB) is a critical technological and social concern. Whilst such events are rare, TR is characterized by uncontrollable heating leading to catastrophic failures. To deepen the understanding of the failure process and subsequently develop more accurate TR prediction models and as a result safer battery systems, we present in this work high-speed X-ray tomography for in-depth investigations of the copper current collector melting and agglomeration during TR. The melting process presents valuable real-time internal information about heat evolution during TR, previously challenging to access but crucially important for validating TR models. In this work, controlled failure studies combined with high-speed X-ray tomography were performed on two different commercial LIB models, subjecting them to both external heating and nail penetration to induce TR. Through real-time observation via high-speed tomography, followed by segmentation, rendering, and analysis, the formation of copper agglomerates was qualitatively and quantitatively characterized and visualized for the first time. Agglomerates tended to form either from the battery's outermost layers or centrally, depending on the method of TR initiation, and gives an indirect insight into the internal temperature evolution and distribution. Moreover, an initial comparative analysis between the battery models also revealed differences in agglomerate size, which has been linked to the thicker copper current collectors of one of the cell models. We further discuss the impact of larger copper agglomerates on heat distribution and safety. This study not only sheds light on the intricate dynamics of TR in LIBs but also underscores the pivotal role of 'gold-standard' imaging techniques in advancing battery safety, crucial for the robust modeling of TR and the future design of electric vehicle safety systems.

25 ENERGY STORAGE↗
DOE OSTI2019

Isothermal Microcalorimetry: Insight into the Impact of Crystallite Size and Agglomeration on the Lithiation of Magnetite, Fe 3 O 4

Magnetite, Fe 3 O 4 , holds significant interest as a Li-ion anode material because of its high theoretical capacity (926 mAh/g) associated with multiple electron transfers per cation center. Notably, both crystallite size and agglomeration influence ion transport. This report probes the effects of crystallite size (12 and 29 nm) and agglomeration on the reactions involved with the formation of the surface electrolyte interphase on Fe 3 O 4 . Isothermal microcalorimetry (IMC) was used here to determine the parasitic heat evolved during lithiation by considering the total heat measured, cell polarization, and entropic contributions. Interestingly, the 29 nm Fe 3 O 4 -based electrodes produced more parasitic heat than the 12 nm samples (1346 vs 1155 J/g). This observation was explored using scanning electron microscopy (SEM) and X-ray fluorescence (XRF) mapping in conjunction with spatially resolved X-ray absorption spectroscopy (XAS). SEM imaging of the electrodes revealed more agglomerates for the 12 nm material, affirmed by XRF maps. Further, XAS results suggest that Li + transport is more restricted for the smaller crystallite size (12 nm) material, attributed to its greater degree of agglomeration. These results rationalize the IMC data, where agglomerates of the 12 nm material limit solid electrolyte interphase formation and parasitic heat generation during lithiation of Fe 3 O 4 .

25 ENERGY STORAGE↗
DOE OSTI2023

Impact of environmental oxygen on nanoparticle formation and agglomeration in aluminum laser ablation plumes

Here, the role of ambient oxygen gas (O 2 ) on molecular and nanoparticle formation and agglomeration was studied in laser ablation plumes. As a lab-scale surrogate to a high explosion detonation event, nanosecond laser ablation of an aluminum alloy (AA6061) target was performed in atmospheric pressure conditions. Optical emission spectroscopy and two mass spectrometry techniques were used to monitor the early to late stages of plasma generation to track the evolution of atoms, molecules, clusters, nanoparticles, and agglomerates. The experiments were performed under atmospheric pressure air, atmospheric pressure nitrogen, and 20% and 5% O 2 (balance N 2 ), the latter specifically with in situ mass spectrometry. Electron microscopy was performed ex situ to identify crystal structure and elemental distributions in individual nanoparticles. We find that the presence of ≈20% O 2 leads to strong AlO emission, whereas in a flowing N 2 environment (with trace O 2 ), AlN and strong, unreacted Al emissions are present. In situ mass spectrometry reveals that as O 2 availability increases, Al oxide cluster size increases. Nanoparticle agglomerates formed in air are found to be larger than those formed under N 2 gas. High-resolution transmission electron microscopy demonstrates that Al 2 O 3 and AlN nanoparticle agglomerates are formed in both environments; indicating that the presence of trace O 2 can lead to Al 2 O 3 nanoparticle formation. The present results highlight that the availability of O 2 in the ambient gas significantly impacts spectral signatures, cluster size, and nanoparticle agglomeration behavior. These results are relevant to understanding debris formation in an explosion event, and interpreting data from forensic investigations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Agglomeration multigrid for the three-dimensional Euler equations

A multigrid procedure that makes use of coarse grids generated by the agglomeration of control volumes is advocated as a practical approach for solving the three dimensional Euler equations on unstructured grids about complex configurations. It is shown that the agglomeration procedure can be tailored to achieve certain coarse grid properties such as the sizes of the coarse grids and aspect ratios of the coarse grid cells. The agglomeration is done as a preprocessing step and runs in linear time. The implications for multigrid of using arbitrary polyhedral coarse grids are discussed. The agglomeration multigrid technique compares very favorably with existing multigrid procedures both in terms of convergence rates and elapsed times. The main advantage of the present approach is the ease with which coarse grids of any desired degree of coarseness may be generated in three dimensions, without being constrained by considerations of geometry. Inviscid flows over a variety of complex configurations are computed using the agglomeration multigrid strategy.

Venkatakrishnan, V.↗
NASA NTRS2009

A Critical Study of Agglomerated Multigrid Methods for Diffusion

Agglomerated multigrid techniques used in unstructured-grid methods are studied critically for a model problem representative of laminar diffusion in the incompressible limit. The studied target-grid discretizations and discretizations used on agglomerated grids are typical of current node-centered formulations. Agglomerated multigrid convergence rates are presented using a range of two- and three-dimensional randomly perturbed unstructured grids for simple geometries with isotropic and highly stretched grids. Two agglomeration techniques are used within an overall topology-preserving agglomeration framework. The results show that multigrid with an inconsistent coarse-grid scheme using only the edge terms (also referred to in the literature as a thin-layer formulation) provides considerable speedup over single-grid methods but its convergence deteriorates on finer grids. Multigrid with a Galerkin coarse-grid discretization using piecewise-constant prolongation and a heuristic correction factor is slower and also grid-dependent. In contrast, grid-independent convergence rates are demonstrated for multigrid with consistent coarse-grid discretizations. Actual cycle results are verified using quantitative analysis methods in which parts of the cycle are replaced by their idealized counterparts.

Thomas, James L.↗
NASA NTRS2011

A Critical Study of Agglomerated Multigrid Methods for Diffusion

Agglomerated multigrid techniques used in unstructured-grid methods are studied critically for a model problem representative of laminar diffusion in the incompressible limit. The studied target-grid discretizations and discretizations used on agglomerated grids are typical of current node-centered formulations. Agglomerated multigrid convergence rates are presented using a range of two- and three-dimensional randomly perturbed unstructured grids for simple geometries with isotropic and stretched grids. Two agglomeration techniques are used within an overall topology-preserving agglomeration framework. The results show that multigrid with an inconsistent coarse-grid scheme using only the edge terms (also referred to in the literature as a thin-layer formulation) provides considerable speedup over single-grid methods but its convergence deteriorates on finer grids. Multigrid with a Galerkin coarse-grid discretization using piecewise-constant prolongation and a heuristic correction factor is slower and also grid-dependent. In contrast, grid-independent convergence rates are demonstrated for multigrid with consistent coarse-grid discretizations. Convergence rates of multigrid cycles are verified with quantitative analysis methods in which parts of the two-grid cycle are replaced by their idealized counterparts.

Nishikawa, Hiroaki↗
DOE OSTI2020

Large Cemented Gibbsite Agglomerates in Alkaline Nuclear Waste at the Hanford Site and the Impacts to Remediation

Recent work with the remediation of legacy alkaline nuclear waste has focused on nanometer and micrometer particle sizes, emphasizing how these small particles can impact efforts to treat the waste. Building upon this work, we present here findings that show very large particles (several centimeters in size) also exist in these waste which likewise play an important role in the remediation process. While large cemented gibbsite nodules have been periodically reported in acid soils in the literature, this study found similar large gibbsite agglomerates (7 cm in diameter) in alkaline nuclear waste, the first time that such large agglomerates have been identified in an alkaline environment. The morphology of the gibbsite in the agglomerates that were grown over more than 40 years of storage in the waste tank were similar to the much smaller agglomerates that have been reported in previous shorter term studies. Fluid dynamics calculations indicate that these cemented particles would be difficult to mobilize with standard jet slurry technologies, which is consistent with their residence in the waste heel after jet sluicing of the tank.

agglomerates, alkaline nuclear waste↗
DOE OSTI2017

Communication — Modeling polymer-electrolyte fuel-cell agglomerates with double-trap kinetics

A new semi-analytical agglomerate model is presented for polymer-electrolyte fuel-cell cathodes. The model uses double-trap kinetics for the oxygen-reduction reaction, which can capture the observed potential-dependent coverage and Tafel-slope changes. An iterative semi-analytical approach is used to obtain reaction rate constants from the double-trap kinetics, oxygen concentration at the agglomerate surface, and overall agglomerate reaction rate. The analytical method can predict reaction rates within 2% of the numerically simulated values for a wide range of oxygen concentrations, overpotentials, and agglomerate sizes, while saving simulation time compared to a fully numerical approach.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Reversible Magnetic Agglomeration: A Mechanism for Thermodynamic Control over Nanoparticle Size

Abstract We present a method for the synthesis and precise size control of magnetic nanoparticles in a reversible magnetic agglomeration mechanism. In this approach, nanoparticles nucleate and grow until a critical susceptibility is reached, in which magnetic attraction overcomes dispersive forces, leading to agglomeration and precipitation. This phase change in the system arrests nanoparticle growth and gives true thermodynamic control over the size of nanoparticles. We then show that increasing the alkyl chain length of the surfactant, and hence increasing steric stabilization, allows nanoparticles to grow to larger sizes before agglomeration occurs. Therefore, simply by choosing the correct surfactant, the size and magnetic properties of iron nanoparticles can be tailored for a particular application. With the continuous addition of the precursor solution, we can repeat the steps of nucleation, growth, and magnetic agglomeration indefinitely, making the approach suitable for large scale syntheses.

Bleier, Grant C.↗
DOE OSTI2018

Reversible Magnetic Agglomeration: A Mechanism for Thermodynamic Control over Nanoparticle Size

Abstract We present a method for the synthesis and precise size control of magnetic nanoparticles in a reversible magnetic agglomeration mechanism. In this approach, nanoparticles nucleate and grow until a critical susceptibility is reached, in which magnetic attraction overcomes dispersive forces, leading to agglomeration and precipitation. This phase change in the system arrests nanoparticle growth and gives true thermodynamic control over the size of nanoparticles. We then show that increasing the alkyl chain length of the surfactant, and hence increasing steric stabilization, allows nanoparticles to grow to larger sizes before agglomeration occurs. Therefore, simply by choosing the correct surfactant, the size and magnetic properties of iron nanoparticles can be tailored for a particular application. With the continuous addition of the precursor solution, we can repeat the steps of nucleation, growth, and magnetic agglomeration indefinitely, making the approach suitable for large scale syntheses.

Bleier, Grant C.↗
DOE OSTI2016

Direct numerical simulations of agglomeration of circular colloidal particles in two-dimensional shear flow

Colloidal agglomeration of nanoparticles in shear flow is investigated by solving the fluid-particle and particle-particle interactions in a 2D system. We use an extended finite element method in which the dynamics of the particles is solved in a fully coupled manner with the flow, allowing an accurate description of the fluid-particle interfaces without the need of boundary-fitted meshes or of empirical correlations to account for the hydrodynamic interactions between the particles. Adaptive local mesh refinement using a grid deformation method is incorporated with the fluid-structure interaction algorithm, and the particle-particle interaction at the microscopic level is modeled using the Lennard-Jones potential. Motivated by the process used in fabricating fuel cell catalysts from a colloidal ink, the model is applied to investigate agglomeration of colloidal particles under external shear flow in a sliding bi-periodic Lees-Edwards frame with varying shear rates and particle fraction ratios. Both external shear and particle fraction are found to have a crucial impact on the structure formation of colloidal particles in a suspension. Segregation intensity and graph theory are used to analyze the underlying agglomeration patterns and structures, and three agglomeration regimes are identified.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1993

Unstructured multigrid through agglomeration

In this work the compressible Euler equations are solved using finite volume techniques on unstructured grids. The spatial discretization employs a central difference approximation augmented by dissipative terms. Temporal discretization is done using a multistage Runge-Kutta scheme. A multigrid technique is used to accelerate convergence to steady state. The coarse grids are derived directly from the given fine grid through agglomeration of the control volumes. This agglomeration is accomplished by using a greedy-type algorithm and is done in such a way that the load, which is proportional to the number of edges, goes down by nearly a factor of 4 when moving from a fine to a coarse grid. The agglomeration algorithm has been implemented and the grids have been tested in a multigrid code. An area-weighted restriction is applied when moving from fine to coarse grids while a trivial injection is used for prolongation. Across a range of geometries and flows, it is shown that the agglomeration multigrid scheme compares very favorably with an unstructured multigrid algorithm that makes use of independent coarse meshes, both in terms of convergence and elapsed times.

Venkatakrishnan, V.↗
NASA NTRS2010

Development and Application of Agglomerated Multigrid Methods for Complex Geometries

We report progress in the development of agglomerated multigrid techniques for fully un- structured grids in three dimensions, building upon two previous studies focused on efficiently solving a model diffusion equation. We demonstrate a robust fully-coarsened agglomerated multigrid technique for 3D complex geometries, incorporating the following key developments: consistent and stable coarse-grid discretizations, a hierarchical agglomeration scheme, and line-agglomeration/relaxation using prismatic-cell discretizations in the highly-stretched grid regions. A signi cant speed-up in computer time is demonstrated for a model diffusion problem, the Euler equations, and the Reynolds-averaged Navier-Stokes equations for 3D realistic complex geometries.

Nishikawa, Hiroaki↗
DOE OSTI2019

Agglomeration of Solid Inclusions in Molten Steel

Agglomeration of alumina inclusions in the molten steel is investigated through the free energy analysis of the cavitation between inclusions. The mechanism of agglomeration, the activation state, the stable state, the equilibrium state, and the critical separation for the cavitation are discussed. The equilibrium energy is proportional to the square of the inclusion radius, E{sub Eq} = 0.710R{sub P}{sup 2}, while the critical separation is directly proportional to the inclusion radius, d{sub C} = 0.146R{sub P}. Agglomerates of micron inclusions are hardly broken up by the turbulence in steelmaking practice.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Diamond-like-carbon nanoparticle production and agglomeration following UV multi-photon excitation of static naphthalene/helium gas mixtures

We report the formation of nanoparticles with significant diamond character after UV multi-photon laser excitation of gaseous naphthalene, buffered in static helium gas, at room temperature. The nanoparticles are identified in situ by their absorption and scattering spectra between 400 and 850 nm, which are modeled using Mie theory. Comparisons of the particles’ spectroscopic and optical properties with those of carbonaceous materials indicate a sp{sup 3}/sp{sup 2} hybridization ratio of 8:1 of the particles formed. The particle extinction in the closed static (unstirred) gas-phase system exhibits a complex and quasi-oscillatory time dependence for the duration of up to several hours with periods ranging from seconds to many minutes. The extinction dynamics of the system is based on a combination of transport features and particle interaction, predominantly agglomeration. The relatively long period of agglomeration allows for a unique analysis of the agglomeration process of diamond-like carbon nanoparticles in situ.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗