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Results for “INTERFACIAL TENSION”

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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Calculation of contact angles at triple phase boundary in solid oxide fuel cell anode using the level set method

A level set method is applied to characterize the three dimensional structures of nickel, yttria stabilized zirconia and pore phases in solid oxide fuel cell anode reconstructed by focused ion beam-scanning electron microscope. A numerical algorithm is developed to evaluate the contact angles at the triple phase boundary based on interfacial normal vectors which can be calculated from the signed distance functions defined for each of the three phases. Furthermore, surface tension force is estimated from the contact angles by assuming the interfacial force balance at the triple phase boundary. The average contact angle values of nickel, yttria stabilized zirconia and pore are found to be 143°–156°, 83°–138° and 82°–123°, respectively. The mean contact angles remained nearly unchanged after 100 hour operation. However, the contact angles just after reduction are different for the cells with different sintering temperatures. In addition, standard deviations of the contact angles are very large especially for yttria stabilized zirconia and pore phases. The calculated surface tension forces from mean contact angles were close to the experimental values found in the literature. Slight increase of surface tensions of nickel/pore and nickel/yttria stabilized zirconia were observed after operation. Present data are expected to be used not only for the understanding of the degradation mechanism, but also for the quantitative prediction of the microstructural temporal evolution of solid oxide fuel cell anode. - Highlights: • A level set method is applied to characterize the 3D structures of SOFC anode. • A numerical algorithm is developed to evaluate the contact angles at the TPB. • Surface tension force is estimated from the contact angles. • The average contact angle values are found to be 143o-156o, 83o-138o and 82o-123o. • Present data are expected to understand degradation and predict evolution of SOFC.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Application of the core shell model for strengthening polymer filament interfaces

While surface segregation has been intensively studied in thin films, relatively little has been investigated in filament geometries. In contrast to thin films, the filament surface forms a continuum, with interactions both at the free air and internal filament interface, which makes it difficult to achieve an equilibrium configuration. This asymmetry has become particularly apparent with the increasing use of additive manufacturing where entire structures are constructed via layered deposition of filamentous layers from a moving thermal nozzle. In addition, this process is highly non-equilibrated with poor thermal retention and is responsible for insufficient filament–filament interfacial fusion and internal pore formation along the printing direction. These features all contribute to poor mechanical and structural properties, which are exacerbated in semi-crystalline polymers, such as Polylactic Acid (PLA), where the melting point, T m , is much higher than the glass transition, T g . Even though system is liquid the molecules become ordered within the crystal structure and this ordering interferes with interdiffusion, which in turn prevents proper interfacial fusion. Capitalizing on the differential in surface tension, we show that addition of less than 1%, or trace amounts, of longer chain polymers, an oriented core shell structure, will be formed with a self-limiting thickness of three time the radius of gyration, R g , of the tracer chains. The lower T g of the tracers and their orientation makes them poised for interdiffusion when subsequent layers are deposited producing structures with significant improvement of the mechanical properties and internal structural integrity.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Failure Analysis of Three-Sheet Stackup Structure Made of Dissimilar High-Strength Steel

A three-sheet stackup structure consisting of B1500HS and B250P1 dissimilar high-strength steel was produced by resistance spot welding. The failure mode and energy absorption ability of two typical samples were investigated in typical loading state such as shear and cross-tension test. Moreover, the fracture characteristics were observed by scanning electron microscopy and the fracture process was analyzed based on the loading state. Results show two samples fracture in interfacial mode or pullout mode in shear test and fracture only in pullout mode in cross-tension test. Despite the different fracture modes, fractured sample shows ductile characteristics during mechanical tests. Compared with the sample fractured in interfacial mode, sample fractured in pullout mode has higher ultimate load and energy absorption ability in shear test. Moreover, sample absorbs more failure energy in cross-tension test than that in shear test because of the deformation of structure in cross-tension test. Both carbon equivalent and welding conditions affect the hardness of the fusion zone—a lower CE value leads to a softer HAZ which helps to promote pullout failure in the cross-tension test.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Odd-viscosity-induced passivation of Moffatt vortices

Odd viscosity is associated with a number of striking physical phenomena: a disk rotating in a viscous liquid experiences a normal compressive or tensile stress depending on its sense of rotation; chiral active matter interfacial deformations level off in a manner akin to surface tension; and unstable thermocapillary films become stabilized. In this article we show that odd viscosity decreases the size and intensity of Moffatt vortices in a corner formed by a solid substrate and a free interface. The effect is present because odd viscosity creates a normal-stress-induced shear stress at the liquid–gas interface. The new shear stress is out of phase and oppositely directed with respect to the interfacial liquid velocity. It squeezes the vortices and damps their rotation. As a consequence, Moffatt vortices can now be observed with greater facility in an experiment. Odd viscosity also increases the range of corner angles over which Moffatt vortices can be observed, and, in general, it shows a tendency to moderate singular behaviour.

Mechanics↗
DOE OSTI2022

Investigation of γ - ( U , Z r ) structural properties and its interfacial properties with liquid sodium using ab initio molecular dynamics

In this study, the elastic properties, structural parameters, sound velocity, and Debye temperature of γ–(U,Zr) were computed using ab initio molecular dynamics (AIMD) at temperatures between 1000 K and 1400 K and for Zr content between 0 at. % and 100 at. %. UZr is used as a metallic fuel for Sodium Fast Reactors (SFRs). The study of the mechanical and thermal behavior of these alloys leads to a better data-informed fuel design. The bulk modulus, shear modulus, Young's modulus, and Poisson's ratio were calculated from the elastic constants and their dependence on Zr content and temperature was investigated, comparing the results with previous computational work and the available experimental data in the literature. Interfacial properties between UZr (up to 32 at. % which typically exists in nuclear fuel) and liquid sodium are also of interest due to the presence of a sodium bond between the fuel and the cladding in metallic nuclear fuel. The interfacial energy between γ–(U,Zr) and liquid sodium, the surface tension of liquid sodium, and the work of adhesion were computed at different temperatures and Zr concentrations. It was demonstrated that γ–(U,Zr) is completely wetted by liquid sodium at all the investigated temperatures and Zr concentrations. Finally, this work provides the basis for the determination of interfacial resistances in SFRs and their implementation into heat transfer fuel performance simulations, which will be the subject of future work.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Inclusion of line tension effect in classical nucleation theory for heterogeneous nucleation: A rigorous thermodynamic formulation and some unique conclusions

A rigorous thermodynamic formulation of the geometric model for heterogeneous nucleation including line tension effect is missing till date due to the associated mathematical hurdles. In this work, we develop a novel thermodynamic formulation based on Classical Nucleation Theory (CNT), which is supposed to illustrate a systematic and a more plausible analysis for the heterogeneous nucleation on a planar surface including the line tension effect. The appreciable range of the critical microscopic contact angle (θ{sub c}), obtained from the generalized Young’s equation and the stability analysis, is θ{sub ∞} < θ{sub c} < θ′ for positive line tension and is θ{sub M} < θ{sub c} < θ{sub ∞} for negative line tension. θ{sub ∞} is the macroscopic contact angle, θ′ is the contact angle for which the Helmholtz free energy has the minimum value for the positive line tension, and θ{sub M} is the local minima of the nondimensional line tension effect for the negative line tension. The shape factor f, which is basically the dimensionless critical free energy barrier, becomes higher for lower values of θ{sub ∞} and higher values of θ{sub c} for positive line tension. The combined effect due to the presence of the triple line and the interfacial areas (f{sup L} + f{sup S}) in shape factor is always within (0, 3.2), resulting f in the range of (0, 1.7) for positive line tension. A formerly presumed appreciable range for θ{sub c}(0 < θ{sub c} < θ{sub ∞}) is found not to be true when the effect of negative line tension is considered for CNT. Estimation based on the property values of some real fluids confirms the relevance of the present analysis.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

On the importance of species immiscibility in mixing-layer dynamics at supercritical pressures

The mixing dynamics of injected propellants is a key factor in determining the ignition performance and combustion-instability response of rocket engines, internal combustion engines, and gas turbines. A key source of uncertainty in the prediction of phase-exchange dynamics is the immiscibility of the injected propellants at supercritical pressure conditions, which induces liquid/vapor phase separation and surface-tension dynamics. While experimental observations indicate the presence of liquid/vapor interfacial structures, this interfacial dynamics is typically neglected in numerical analyses. To address this issue, the objective of the present study is to systematically evaluate the importance of species immiscibility on the phase-exchange dynamics of cryogenic LOX/GH2 mixing layers at typical rocket engine injection conditions. This is accomplished by comparing simulations of (i) a recently developed interface-capturing Regularized-Interface Method (RIM) formulation, and (ii) the commonly employed Diffuse-Interface Method (DIM) formulation. Analysis shows that the interfacial dynamics significantly impact the atomization and mixing of the propellants in the near-injector region, which is not captured by the DIM formulation. The findings of this study extend to other immiscible injection systems, such as LOX/kerosene and hydrocarbon-fuel/air, thereby highlighting the importance of resolving species immiscibility in simulating high-pressure combustion engines.

diffused-interface method↗
DOE OSTI2021

Phase-field simulations of fission gas bubbles in high burnup UO2 during steady-state and LOCA transient conditions

To improve the economics of commercial nuclear energy generation, U.S. utilities are currently seeking licensing approval to operate UO2 fuel to higher burnups. One significant safety issue that must be addressed to obtain approval is the potential for fine fragmentation/pulverization of the fuel during a loss-of-coolant accident (LOCA). It has been hypothesized this is caused by the rapid increase of pressure in fission gas bubbles in the high burnup region of the fuel. To better understand this phenomenon, a novel phase-field model of the fission gas bubble microstructure in UO2 has been developed and implemented in Idaho National Laboratory's Marmot application for phase-field simulation of nuclear materials. Simulations of bubble growth in the high burnup region during steady-state conditions showed that initially overpressurized bubbles decreased in pressure during growth, but still remained above equilibrium pressure. During a LOCA transient, simulations of bubbles in the high burnup region showed that bubble size did not change significantly, and the pressure increase due to the transient was calculated and passed to a phase-field model of fracture.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2008

Computational Analyses of Pressurization in Cryogenic Tanks

A) Advanced Gas/Liquid Framework with Real Fluids Property Routines: I. A multi-fluid formulation in the preconditioned CRUNCH CFD(Registered TradeMark) code developed where a mixture of liquid and gases can be specified: a) Various options for Equation of state specification available (from simplified ideal fluid mixtures, to real fluid EOS such as SRK or BWR models). b) Vaporization of liquids driven by pressure value relative to vapor pressure and combustion of vapors allowed. c) Extensive validation has been undertaken. II. Currently working on developing primary break-up models and surface tension effects for more rigorous phase-change modeling and interfacial dynamics B) Framework Applied to Run-time Tanks at Ground Test Facilities C) Framework Used For J-2 Upper Stage Tank Modeling: 1) NASA MSFC tank pressurization: a) Hydrogen and oxygen tank pre-press, repress and draining being modeled at NASA MSFC. 2) NASA AMES tank safety effort a) liquid hydrogen and oxygen are separated by a baffle in the J-2 tank. We are modeling pressure rise and possible combustion if a hole develops in the baffle and liquid hydrogen leaks into the oxygen tank. Tank pressure rise rates simulated and risk of combustion evaluated.

Ahuja, Vineet↗
DOE OSTI2022

Wetting Properties of Molten Salts

Wettability is a key piece of information in understanding the behavior of molten salts at material interfaces. Wettability is most easily characterized by contact angle which is measurable using the sessile drop method. A modified sessile drop method was used to measure the contact angle of the LiCl-KCl eutectic at varying temperatures on Nickel 200, Hastelloy C276, Glassy Carbon, and MACOR machinable ceramic. The contact angle was used with existing surface temperature data to find the work of adhesion at various temperatures. Finally, problems encountered during the experiment are listed and possible improvements are provided.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Strain-induced majority carrier inversion in ferromagnetic epitaxial LaCo O 3 - δ thin films

Tensile-strained LaCoO 3-δ thin films are ferromagnetic, in sharp contrast to the zero-spin bulk, although no clear consensus has emerged as to the origin of this phenomenon. While magnetism has been heavily studied, relatively little attention has been paid to electronic transport, due to the insulating nature of the strain-stabilized ferromagnetic state. Here, structure, magnetism, and transport are studied in epitaxial LaCoO 3-δ films (10–22-nm thick) on various substrates (from 1.4% compressive to 2.5% tensile strain), using synchrotron x-ray diffraction, scanning probe and transmission electron microscopy, magnetometry, polarized neutron reflectometry, resistivity, and Hall effect. High quality, smooth films are obtained, exhibiting superstructures associated with both oxygen vacancy ordering and periodic in-plane ferroelastic domains. Consistent with prior work, ferromagnetism with an approximately 80–85 K Curie temperature is observed under tension; polarized neutron reflectometry confirms a relatively uniform magnetization depth profile, albeit with interfacial dead layer formation. Electrical transport is found to have similar semiconducting nature to bulk, but with reduced resistivity and activation energy. Hall effect measurements, however, reveal a striking inversion of the majority carrier type, from p-type in the bulk and under compression to n-type under tension. While thus far overlooked, ferromagnetism in epitaxial LaCoO 3-δ films is thus directly correlated with n-type behavior, providing important insight into the ferromagnetic state in this system. Here, aided by density functional theory calculations, these results are interpreted in terms of tensile-strain-induced orbital occupation and band structure changes, including a rapid decrease in effective mass at the e g -derived conduction band minimum, and corresponding increase at the valence band maximum.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Two-Phase Turbulent Kinetic Energy Budget Computation in Co-Current Taylor Bubble Flow

Simulation of two-phase flows is relevant for reactor design and safety at normal operation or during accident scenarios. Often, the two-phase flow is in a regime in which slugs are formed or where the flow stratifies. Modeling such situations using standard single-phase Reynolds-averaged Navier-Stokes (RANS) turbulence models fails due to an overestimation of the eddy viscosity at the resolved two-phase interface. To solve this, an ad hoc turbulence damping term has been proposed in the literature that reduces the turbulence production locally at a two-phase interface, analogously to turbulence wall functions. However, this approach must be tailored to the specific setting and does not consider physical contributions such as surface tension or flow topology. Therefore, the problem of two-phase interfacial turbulence must be studied more in-depth. In this work, we consider co-current turbulent Taylor bubble flow using high-fidelity numerical simulation. The Basilisk code is used to simulate a Taylor bubble rising in a vertical pipe. By simulating the bubble in a moving frame of reference, we may study the turbulent kinetic energy (TKE) budgets ahead of the bubble, in its wake, and across the interface. The implementation of the TKE budget computation and the underlying averaging techniques are validated for the single-phase region ahead of the Taylor bubble using reference direct numerical simulation data. The analysis of the TKE budgets in the setting of Taylor bubble flow allows for the study of how turbulence behaves due to the presence of a two-phase interface and, in turn, supports the improvement of two-phase RANS models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2001

Influence of Solutocapillary Convection on Macrovoid Defect Formation in Polymeric Membranes

Macrovoids (MVs) are large (10-50 micrometers) pores often found in polymeric membranes prepared via phase-inversion techniques. They are generally considered undesirable, as they adversely affect the permeability properties and performance of polymeric membranes for microfiltration, ultrafiltration, and reverse osmosis. However, MVs can be useful in certain thin-film applications in which vapor transmission is necessary, or for use as reservoirs for enzymes or liquid membrane material. If more could be learned about the nature and causes of MV formation, it might be possible to devise techniques to control and/or prevent MV formation that are more effective than those currently employed. Two hypotheses for the MV growth mechanism have been advanced. Reuvers proposed that once initiated, MV growth can be attributed to diffusion of (primarily) solvent to the MV nuclei. Because this mechanism does not involve gross movement of the MV, the presence or absence of body forces such as buoyancy should not significantly affect MV growth. On the other hand, Shojaie et al. proposed that solutocapillary convection induced by a steep surface-tension gradient along the MV/bulk solution interface enhances mass transfer to the growing MV. This interfacial convection exerts a force that pulls the growing MV downward into the casting solution. Both buoyancy and viscous drag hinder MV growth by inhibiting this motion. Thus, removing the buoyancy force by casting in microgravity should augment MV growth according to this hypothesis. Whereas neither surface tension nor gravity has a significant effect on MV growth according to the first hypothesis, buoyancy forces should be important if the second hypothesis is correct. The overall goal of this research is to test these two hypotheses in order to improve our understanding of the MV growth processing solvent-cast polymeric membranes. Studying MV growth in low-gravity conditions is pivotal to our ability to discriminate between these two hypotheses.

Pekny, M. R.↗
DOE OSTI2015

Tracing the 4000 year history of organic thin films: From monolayers on liquids to multilayers on solids

The recorded history of organic monolayer and multilayer thin films spans approximately 4000 years. Fatty-acid-based monolayers were deposited on water by the ancients for applications ranging from fortune telling in King Hammurabi's time (∼1800 BC, Mesopotamia) to stilling choppy waters for sailors and divers as reported by the Roman philosopher Pliny the Elder in ∼78 AD, and then much later (1774) by the peripatetic American statesman and natural philosopher Benjamin Franklin, to Japanese “floating-ink” art (suminagashi) developed ∼1000 years ago. The modern science of organic monolayers began in the late-1800s/early-1900s with experiments by Lord Rayleigh and the important development by Agnes Pockels, followed two decades later by Irving Langmuir, of the tools and technology to measure the surface tension of liquids, the surface pressure of organic monolayers deposited on water, interfacial properties, molecular conformation of the organic layers, and phase transitions which occur upon compressing the monolayers. In 1935, Katherine Blodgett published a landmark paper showing that multilayers can be synthesized on solid substrates, with controlled thickness and composition, using an apparatus now known as the Langmuir-Blodgett (L-B) trough. A disadvantage of LB films for some applications is that they form weak physisorbed bonds to the substrate. In 1946, Bigelow, Pickett, and Zisman demonstrated, in another seminal paper, the growth of organic self-assembled monolayers (SAMs) via spontaneous adsorption from solution, rather than from the water/air interface, onto SiO{sub 2} and metal substrates. SAMs are close-packed two-dimensional organic crystals which exhibit strong covalent bonding to the substrate. The first multicomponent adsorbed monolayers and multilayer SAMs were produced in the early 1980s. Langmuir monolayers, L-B multilayers, and self-assembled mono- and multilayers have found an extraordinarily broad range of applications including controlled wetting, adhesion, electrochemistry, biocompatibility, molecular recognition, biosensing, cell biology, non-linear optics, molecular electronics, solar cells, read/write/erase memory, and magnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Synergistic Assembly of Charged Oligomers and Amino Acids at the Air–Water Interface: An Avenue toward Surface-Directed CO 2 Capture

Interfaces are considered a major bottleneck in the capture of CO 2 from air. Efforts to design surfaces to enhance CO 2 capture probabilities are challenging due to the remarkably poor understanding of chemistry and self-assembly taking place at these interfaces. In this report we leverage surface-specific vibrational spectroscopy, Langmuir trough techniques, and simulations to mechanistically elucidate how cationic oligomers can drive surface localization of amino acids (AAs) that serve as CO 2 capture agents speeding up the apparent rate of absorption. We demonstrate how tuning these interfaces provides a means to facilitate CO 2 capture chemistry to occur at the interface, while lowering surface tension and improving transport/reaction probabilities. We show that in the presence of interfacial AA-rich aggregates, one can improve capture probabilities vs that of a bare interface, which holds promise in addressing climate change through the removal of CO 2 via tailored interfaces and associated chemistries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Thermally-induced transition of lamellae orientation in block-copolymer films on ‘neutral’ nanoparticle-coated substrates

Block-copolymer orientation in thin films is controlled by the complex balance between interfacial free energies, including the inter-block segregation strength, the surface tensions of the blocks, and the relative substrate interactions. While block-copolymer lamellae orient horizontally when there is any preferential affinity of one block for the substrate, we recently described how nanoparticle-roughened substrates can be used to modify substrate interactions. We demonstrate how such ‘neutral’ substrates can be combined with control of annealing temperature to generate vertical lamellae orientations throughout a sample, at all thicknesses. We observe an orientational transition from vertical to horizontal lamellae upon heating, as confirmed using a combination of atomic force microscopy (AFM), neutron reflectometry (NR) and rotational small-angle neutron scattering (RSANS). Using molecular dynamics (MD) simulations, we identify substrate-localized distortions to the lamellar morphology as the physical basis of the novel behavior. In particular, under strong segregation conditions, bending of horizontal lamellae induce a large energetic cost. At higher temperatures, the energetic cost of conformal deformations of lamellae over the rough substrate is reduced, returning lamellae to the typical horizontal orientation. Thus, we find that both surface interactions and temperature play a crucial role in dictating block-copolymer lamellae orientation. As a result, our combined experimental and simulation findings suggest that controlling substrate roughness should provide a useful and robust platform for controlling block-copolymer orientation in applications of these materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Visualization of dynamic fiber-matrix interfacial shear debonding

To visualize the debonding event in real time for the study of dynamic crack initiation and propagation at the fiber–matrix interface, a modified tension Kolsky bar was integrated with a high-speed synchrotron X-ray phase-contrast imaging setup. In the gage section, the pull-out configuration was utilized to understand the behavior of interfacial debonding between SC-15 epoxy matrix and S-2 glass fiber, tungsten wire, steel wire, and carbon fiber composite Z-pin at pull-out velocities of 2.5 and 5.0 m s –1 . The load history and images of the debonding progression were simultaneously recorded. Both S-2 glass fiber and Z-pin experienced catastrophic interfacial debonding whereas tungsten and steel wire experienced both catastrophic debonding and stick–slip behavior. Even though S-2 glass fiber and Z-pin samples exhibited a slight increase and tungsten and steel wire samples exhibited a slight decrease in average peak force and average interfacial shear stress as the pull-out velocities were increased, no statistical difference was found for most properties when the velocity was increased. Furthermore, the debonding behavior for each fiber material is similar with increasing pull-out velocity. Thus, the debonding mechanism, peak force, and interfacial shear stress were rate insensitive as the pull-out velocity doubled from 2.5 to 5.0 m s –1 . In conclusion, scanning electron microscope imaging of recovered epoxy beads revealed a snap-back behavior around the meniscus region of the bead for S-2 glass, tungsten, and steel fiber materials at 5.0 m s –1 whereas those at 2.5 m s –1 exhibited no snap-back behavior.

36 MATERIALS SCIENCE↗