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Results for “phase field method”

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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Investigating the impact of donor atoms of single-source precursors on f-element nanomaterial formation and mechanisms of initial bond cleavage

Nanotechnology is advancing exponentially, with novel discoveries and applications emerging every day across various fields, including environmental remediation, biomedicine, electronics, and textiles. Nanoparticles (NPs) are defined as particles with sizes ranging from 1 to 100 nm, and their properties are influenced by factors such as composition, phase, size, and shape. Single-source precursors (SSPs) offer a promising method for controlling the synthesis of phase-pure nanoparticles with the desired stoichiometry and have been successfully applied to prepare transition metal and lanthanide NPs. SSPs are molecular compounds that contain all the necessary components to form the final nanomaterial and decompose under mild conditions, such as heating, to create the solid-state product. The objective of this work was to garner a mechanistic understanding of cerium oxide NP formation from cerium SSPs. To achieve these goals, first, ligands with oxygen and sulfur donor atoms were synthesized; among the array of ligands synthesized, some were novel. These ligands were then chelated to cerium ions to synthesize cerium precursors. Initially, known cerium alkoxide precursors were synthesized. Subsequently, these basic cerium complexes were further manipulated through acid-base protonolysis reactions to install a diverse set of ligands. Within this body of work, 10 novel cerium precursors were successfully synthesized. The ligands and the SSPs were analyzed using nuclear magnetic resonance (NMR) and thermogravimetric analysis coupled with differential scanning calorimetry (TGA-DSC). These SSPs were then introduced to a collision-induced dissociation mass spectrometer (CID-MS), and their dissociation pathways were studied.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
NASA NTRS1991

Active control of sound radiation from a vibrating rectangular panel by sound sources and vibration inputs - An experimental comparison

Active control of sound radiation from a rectangular panel by two different methods has been experimentally studied and compared. In the first method a single control force applied directly to the structure is used with a single error microphone located in the radiated acoustic field. Global attenuation of radiated sound was observed to occur by two main mechanisms. For 'on-resonance' excitation, the control force had the effect of increasing the total panel input impedance presented to the nosie source, thus reducing all radiated sound. For 'off-resonance' excitation, the control force tends not significantly to modify the panel total response amplitude but rather to restructure the relative phases of the modes leading to a more complex vibration pattern and a decrease in radiation efficiency. For acoustic control, the second method, the number of acoustic sources required for global reduction was seen to increase with panel modal order. The mechanism in this case was that the acoustic sources tended to create an inverse pressure distribution at the panel surface and thus 'unload' the panel by reducing the panel radiation impedance. In general, control by structural inputs appears more effective than control by acoustic sources for structurally radiated noise.

Fuller, C. R.↗
DOE OSTI2022

A multi-resolution approach to hydraulic fracture simulation

Abstract We present a multi-resolution approach for constructing model-based simulations of hydraulic fracturing, wherein flow through porous media is coupled with fluid-driven fracture. The approach consists of a hybrid scheme that couples a discrete crack representation in a global domain to a phase-field representation in a local subdomain near the crack tip. The multi-resolution approach addresses issues such as the computational expense of accurate hydraulic fracture simulations and the difficulties associated with reconstructing crack apertures from diffuse fracture representations. In the global domain, a coupled system of equations for displacements and pressures is considered. The crack geometry is assumed to be fixed and the displacement field is enriched with discontinuous functions. Around the crack tips in the local subdomains, phase-field sub-problems are instantiated on the fly to propagate fractures in arbitrary, mesh independent directions. The governing equations and fields in the global and local domains are approximated using a combination of finite-volume and finite element discretizations. The efficacy of the method is illustrated through various benchmark problems in hydraulic fracturing, as well as a new study of fluid-driven crack growth around a stiff inclusion.

58 GEOSCIENCES↗
NASA NTRS1980

Method for separating biological cells

A method for separating biological cells by suspending a mixed cell population in a two-phase polymer system is described. The polymer system consists of droplet phases with different surface potentials for which the cell populations exhibit different affinities. The system is subjected to an electrostatic field of sufficient intensity to cause migration of the droplets with an attendant separation of cells.

Brooks, D. E.↗
NASA NTRS1980

QCSEE fan exhaust bulk absorber treatment evaluation

The purpose of the experimental program reported herein was to evaluate the acoustic suppression capability of bulk absorber material designed for use in the fan exhaust duct walls of the QCSEE UTW (under-the-wing) engine and to compare it with other means of acoustic suppression. The paper includes comparison of the acoustic suppression to the original design for the QCSEE UTW engine fan duct which consisted of phased SDOF (single-degree-of-freedom) wall treatment and a splitter and also with the splitter removed. The method of approach consisted of mounting the UTW engine on the test stand of the Lewis Engine Noise Facility with an appropriate array of far-field microphones in order to measure the acoustic levels of the various configurations. Peak suppression was about as predicted with the bulk absorber configuration; however, the broadband characteristics were not attained. Post-test inspection revealed surface oil contamination on the bulk material which could have caused the loss in bandwidth suppression.

Bloomer, H. E.↗
NASA NTRS1986

The resolved layer of a collisionless, high beta, supercritical, quasi-perpendicular shock wave. II - Dissipative fluid electrodynamics

Using the results of Scudder et al. (1986) on the bow shock wave observed by ISEE satellites, a quantitative description is presented of the electrodynamics of ion and electron fluids, and phase-standing wave interaction which manifests itself as a supercritical MHD shock. The cross-shock electrical profile was determined in both the normal incidence frame and in the deHoffman-Teller frame by two different methods, and the results were compared with dc electric field measurements.

Scudder, J. D.↗
NASA NTRS1988

Fuel-injector/air-swirl characterization

Experimental data on the characteristics of the spray produced by a gas-turbine engine airblast fuel injector are reported. The data acquired include the mass-flux distribution measured by use of a high-resolution spray patternator; the gas-phase velocity field measured by use of a two-component laser Doppler velocimeter, and the liquid droplet size and velocity distributions measured by use of a single-component phase-Doppler anemometer. The data are intended for use in assessments of two-phase flow computational methods as applied to combustor design procedures.

Mcvey, J. B.↗
NASA NTRS1988

Application of advanced diagnostics to airblast injector flows

Experimental data on the characteristics of the spray produced by a gas-turbine engine airblast fuel injector are reported. The data acquired include the mass-flux distribution, measured by use of a high-resolution spray patternator; the gas-phase velocity field, measured by use of a two-component laser Doppler velocimeter, and the liquid droplet size and velocity distribution, measured by use of a single-component phase-Doppler anemometer. The data are intended for use in assessments of two-phase flow computational methods as applied to combustor design procedures.

Mcvey, John B.↗
DOE OSTI2025

Towards robust surrogate models: Benchmarking machine learning approaches to expediting phase field simulations of brittle fracture

Data-driven approaches have the potential to make modeling complex, nonlinear physical phenomena significantly more computationally tractable. For example, computational modeling of fracture is a core challenge where machine learning techniques have the potential to provide a much needed speedup that would enable progress in areas such as multi-scale modeling and uncertainty quantification. Currently, phase field modeling (PFM) of fracture is one such approach that offers a convenient variational formulation to model crack nucleation, branching and propagation. To date, machine learning techniques have shown promise in approximating PFM simulations. While standard fracture benchmarks represent realistic scenarios frequently observed in practice, they typically do not provide sufficiently challenging tests for data-driven methods. Here, to address this gap, we introduce a challenging dataset based on PFM simulations designed to benchmark and advance ML methods for fracture modeling. This dataset includes three energy decomposition methods, two boundary conditions, and 1000 random initial crack configurations for a total of 6000 simulations. Each sample contains 100 time steps capturing the temporal evolution of the crack field. Alongside this dataset, we also implement and evaluate Physics Informed Neural Networks (PINN), Fourier Neural Operators (FNO), and UNet models as baselines, and explore the impact of ensembling strategies on prediction accuracy. With this combination of our dataset and baseline models drawn from the literature we aim to provide a standardized and challenging benchmark for evaluating machine learning approaches to solid mechanics. Our results highlight both the promise and limitations of popular current models, and demonstrate the utility of this dataset as a testbed for advancing machine learning in fracture mechanics research.

Benchmark dataset↗
DOE OSTI2021

Colloidal quantum dot based infrared detectors: extending to the mid-infrared and moving from the lab to the field

Quantum dots (QDs) that absorb in the mid-wave infrared (MWIR) regime (3–5 μm) have recently generated significant interest as possible detector materials for MWIR cameras, with promises to reduce materials and device fabrication costs and potentially increase device operating temperatures. However, these materials have been primarily explored in single pixel devices – not multi-pixel cameras – and their current performance lags behind that of commercially available MWIR cameras based on single crystalline materials. To realize the potential of QD MWIR photodetectors with imaging capabilities, improvements are needed in the quality of the MWIR-absorbing QD materials, ligands dictating inter-QD charge transport, ordering of QD films, device architectures, and scalability of these methods to larger areas. With three families of QDs being researched – lead-, silver-, and mercury-based chalcogenides – as well as a multitude of possible capping ligands and film deposition techniques, the experimental phase space for MWIR QDs is vast. Here, we provide a roadmap, considering the pros and cons of various film deposition and ligand exchange techniques, as well as reintroduce lessons learned over years of research on QD film formation. We also extracted and created a database of reported quantum dot photodetectors’ performance and fabrication methods and have developed an interactive data visualization dashboard for this database, which provides researchers in the field a quick snapshot of the existing state of the art. Finally, we outline figures of merit and information that should be presented in papers moving forward which would help to clarify the reported results, as well as offer ideas for future steps. We provide a database visualization of the QD photodetector literature at https://public.tableau.com/app/profile/tom.nakotte/viz/IRQDphotodetectors_16384709473480/Dashboard1#1.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Experimentally validated multiphysics modeling of fracture induced by thermal shocks in sintered UO 2 pellets

Uranium Dioxide (UO 2 ) fuel powers almost all commercial Nuclear Power Plants (NPPs) worldwide, generating carbon-free energy and contributing to the fight against climate change. UO 2 fuel incurs damage and fractures due to large thermal gradients that develop across the fuel pellet during normal and transient operating conditions. A comprehensive understanding of the underlying mechanisms by which these processes take place is still lacking. A combined experimental and computational approach is utilized here to quantify the behavior of UO 2 fuel fracture induced by thermal shock. Here, this work introduces both (1) an experimental study to understand the fuel fracturing behavior of sintered UO 2 pellets when exposed to thermal shock, and (2) a Multiphysics phase-field fracture model capable of simulating this process. Parametric studies were conducted to evaluate the effects of uncertainties in fracture properties on the fracture behavior of UO 2 due to thermal shocking. A set of energy release rate (or equivalently fracture toughness) and contract area (the part of the fuel pellet in direct contact with the cold bath) were able to capture the overall fracture trends of the corresponding experimental data. Our combined approach presents a new method for accounting for the effects of microstructure and sample size on the energy release rate/fracture toughness. The experimental data were collected from multiple experiments that exposed UO 2 pellets to high-temperature conditions (589–676 °C) followed by a quench in sub-zero water. This work demonstrates that joint experimental and computational efforts are able to advance the understanding of thermal fracture in the primary fuel source for existing and future NPPs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Niobium hydride formation in superconducting qubit thin films

The formation of nonsuperconducting hydrides in 160–170-nm-thick films of niobium is examined. We identify six elastically distinct orientation relationships ɛ−Nb 4 ⁢H 3 takes within the matrix, solid-solution 𝛼−NbH 𝑥 phase. We employ a phase field model to assess the impact of elastic energy induced by the strain of phase transformation on the morphology and transformation dynamics of ɛ precipitates within a thin film. We consider the dimensions of the thin film, crystallographic growth direction, and diffusion rates to predict the timescale of hydride evolution. Leveraging the finite element method, we predict two-dimensional and three-dimensional equilibrium shapes of ɛ-hydrides within a bulk sample and in a thin film that has a traction-free surface. Our results suggest that niobium hydrides migrate to the free surface of the film. Precipitates which reach the free surface coarsen, while precipitates within the film dissolve. Precipitates in both two dimensions and three dimensions experience a repulsive interaction force at the free surface, that is attractive in the bulk, shown in experiment and theory of previous studies.

36 - MATERIALS SCIENCE↗
DOE OSTI2022

Increased phase precision of spatial light modulators using irrational slopes: application to attosecond metrology

The ability of spatial light modulators (SLMs) to modify the amplitude and phase of light has proved them invaluable to the optics and photonics community. In many applications, the bit-depth of SLMs is a major limiting factor dictated by a digital processor. As a result, there is usually a compromise between refresh speed and bit-depth. Here, we present a method to increase the effective bit-depth of SLMs, which utilizes a linear slope, as is commonly applied to deal with the zeroth-order effect. This technique was tested using two interferometric transient absorption spectroscopy setups. Through the high harmonic generation in gases producing a train of attosecond pulses and harmonics from solids in the ultraviolet, two pulses are generated that interfere in the far field providing a measurement of the optical phase. An increase in the precision far beyond the limit dictated by the digital processor in the bit-depth was found.

Harrison, Geoffrey R. (ORCID:0000000152141866)↗
DOE OSTI2020

A Case Study of Nonresonant Mode 3-s ULF Waves Observed by MMS

The nature of the 3-s ultralow frequency (ULF) wave in the Earth's foreshock region and the associated wave-particle interaction are not yet well understood. In this work, we investigate the 3-s ULF waves using Magnetospheric Multiscale (MMS) observations. By combining the plasma rest frame wave properties obtained from multiple methods with the instability analysis based on the velocity distribution in the linear wave stage, the ULF wave is determined to be due to the ion/ion nonresonant mode instability. The interaction between the wave and ions is analyzed using the phase relationship between the transverse wave fields and ion velocities and using the longitudinal momentum equation. During the stage when ULF waves have sinusoidal waveforms up to |dB|/|B 0 | ~ 3, where dB is the wave magnetic field and B0 is the background magnetic field, the wave electric fields perpendicular to B 0 do negative work to solar wind ions; along B 0 , a longitudinal electric field develops, but the V × B force is stronger and leads to solar wind ion deceleration. During the same wave stage, the backstreaming beam ions gain energy from the transverse wave fields and get deceleration along B 0 by the longitudinal electric field. The ULF wave leads to electron heating, preferentially in the direction perpendicular to the local magnetic field. Secondary waves are generated within the ULF waveforms, including whistler waves near half of the electron cyclotron frequency, high-frequency electrostatic waves, and magnetosonic whistler waves. The work improves the understanding of the nature of 3-s ULF waves and the associated wave-particle interaction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Recent Advances in Small Angle X-ray Scattering for Superlattice Study

Small-angle x-ray scattering is used for the structure determination of superlattice for its superior resolution, nondestructive nature, and high penetration power of x rays. With the advent of high brilliance x-ray sources and innovative computing algorithms, there have been notable advances in small angle x-ray scattering analysis of superlattices. High brilliance x-ray beams have made data analyses less model-dependent. Additionally, novel data acquisition systems are faster and more competitive than ever before, enabling a more accurate mapping of the superlattices' reciprocal space. Fast and high-throughput computing systems and algorithms also make possible advanced analysis methods, including iterative phasing algorithms, non-parameterized fitting of scattering data with molecular dynamics simulations, and the use of machine learning algorithms. As a result, solving nanoscale structures with high resolutions has become an attainable task. In this review, we highlight new developments in the field and introduce their applications for the analysis of nanoscale ordered structures, including nanoparticle supercrystals, nanoscale lithography patterns, and supramolecular self-assemblies. Particularly, we highlight the reciprocal space mapping techniques and the use of iterative phase retrieval algorithms. We also cover coherent-beam-based small angle x-ray scattering techniques such as ptychography and ptycho-tomography in view of the traditional small angle x-ray scattering perspective.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Quantifying particle-scale 3D granular dynamics during rapid compaction from time-resolved in situ 2D x-ray images

Understanding the particle-scale dynamics of granular materials during rapid compaction and flow is of fundamental importance for manufacturing, planetary science, geology, and defense applications. Time-resolved 2D radiography and static 3D x-ray tomography are powerful in situ tools for studying particle-scale dynamics but provide detail only in 2D or with significant time-scale limitations, respectively. Here, we introduce a new method that uses 2D in situ x-ray imaging for determining time-resolved 3D particle-scale dynamics in rapidly compressed granular materials. The method employs initial particle packing structures obtained from x-ray tomography, a 2D x-ray image generation algorithm, and an optimization algorithm. We first describe and validate the method using finite element simulations. Furthermore, we then apply the technique to x-ray phase-contrast images obtained during rapid compaction of granular materials with varying particle morphology and sample thickness. The depth-resolved particle-scale dynamics reveal complex velocity and porosity fields evolving heterogeneously along and perpendicular to the compaction direction. We characterize these features, their fluctuations near the compaction front, and the compaction front thickness. Our technique can be applied to understanding granular dynamics during rapid compaction events, and rearrangements during slower, but non-quasi-static, flows.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Computations of Boiling in Microgravity

The absence (or reduction) of gravity, can lead to major changes in boiling heat transfer. On Earth, convection has a major effect on the heat distribution ahead of an evaporation front, and buoyancy determines the motion of the growing bubbles. In microgravity, convection and buoyancy are absent or greatly reduced and the dynamics of the growing vapor bubbles can change in a fundamental way. In particular, the lack of redistribution of heat can lead to a large superheat and explosive growth of bubbles once they form. While considerable efforts have been devoted to examining boiling experimentally, including the effect of microgravity, theoretical and computational work is limited to very simple models. In this project, the growth of boiling bubbles is studied by direct numerical simulations where the flow field is fully resolved and the effects of inertia, viscosity, surface deformation, heat conduction and convection, as well as the phase change, are fully accounted for. The proposed work is based on previously funded NASA work that allowed us to develop a two-dimensional numerical method for boiling flows and to demonstrate the ability of the method to simulate film boiling. While numerical simulations of multi-fluid flows have been advanced in a major way during the last five years, or so, similar capability for flows with phase change are still in their infancy. Although the feasibility of the proposed approach has been demonstrated, it has yet to be extended and applied to fully three-dimensional simulations. Here, a fully three-dimensional, parallel, grid adaptive code will be developed. The numerical method will be used to study nucleate boiling in microgravity, with particular emphasis on two aspects of the problem: 1) Examination of the growth of bubbles at a wall nucleation site and the instabilities of rapidly growing bubbles. Particular emphasis will be put on accurately capturing the thin wall layer left behind as a bubble expands along a wall, on computing instabilities on bubble surfaces as bubbles grow, and on quantifying the effects of both these phenomena on heat transfer; and 2) Examination of the effect of shear flow on bubble growth and heat transfer.

Tryggvason, Gretar↗