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At least 595 records · Page 33

Two-layer viscous instability in a rotating couette device

A novel experiment to study the interfacial shear instability between two liquids is described. Density-matched immiscible liquids are confined between concentric cylinders such that the interface is parallel to the cylinder walls. Interfacial waves that develop because of viscosity differences between the shearing fluids are studied as a function of rotation rate and depth ratio using optical techniques. Conditions neutral stability and the most unstable wavenumber agree reasonably well with predictions from linear stability analysis of the Navier-Stokes equations. Illumination using laser sheets allows precise measurement of the interface shape. Future experiments will verify the correctness of weakly nonlinear theories that describe energy transfer and saturation of wave growth by nonlinear effects. Measurements of solitary wave shapes, that occur far above neutral stability, will be compared to similar measurements for systems that have gravity as an important force to determine how gravity effects large disturbances. These results will be used to interpret slug and annular flow data that have been obtained in other mu g studies.

Gallagher, Christopher↗

Smoothed boundary method for simulating incompressible flow in complex geometries

Simulating flow through porous media with explicit considerations of complex microstructures is very challenging using conventional sharp-interface methods because of the difficulties in generating meshes conformal to complex geometries. In this work, a diffuse interface embedded boundary method known as the Smoothed Boundary Method (SBM) is utilized to facilitate simulations of fluid dynamics involving complex geometries. In diffuse-interface methods, the geometry is described by a domain parameter. The SBM allows the straightforward reformulation of the time-dependent Navier-Stokes equations in terms of this domain parameter, using only algebraic identities. Thus, enforcing the appropriate boundary conditions at the irregular embedded boundary is greatly simplified. Adaptive mesh refinement is used to increase the accuracy of the diffuse interface method by allowing thinner interfacial thickness to be used in the domain parameter. Here, the SBM-formulated Navier-Stokes equations are solved with the Finite Difference Method on refined mesh systems. Sharp-interface Finite Element Method simulations using the commercial software COMSOL on body-conforming meshes are also provided for comparison. Favorable agreement between the two methods is observed. Since it is no longer necessary for the mesh to conform to the complex geometry, the grid system for the SBM simulations can be generated rapidly and without additional manual interventions, making the entire simulation process more expedient.

36 MATERIALS SCIENCE↗

Interfacial bonding mechanism and mechanical properties of micro friction stir blind riveting for multiple Cu/Al ultra-thin layers

Highlights: • Micro Friction Stir Blind Riveting is developed for joining multilayer ultra-thin dissimilar materials. • Interfacial bonding mechanism for different interfaces is identified. • Proposed technique offers better mechanical performance than conventional micro riveting process. • The relationship between each interfacial bonding mechanism and improved mechanical property is elucidated. - Abstract: In this research, bonding mechanisms and mechanical properties were investigated for a newly developed multilayer dissimilar material joining technique, micro friction stir blind riveting (viz. μFSBR), where the multilayer micro joint was made consisting of one Cu layer and three Al layers (each layer having 0.203 mm thickness) connected through Al rivet. Different microscopy techniques were employed (i.e. scanning electron microscopy and transmission electron microscopy) to unearth the bonding mechanisms of the three interfaces (i.e. Al rivet and Cu sheet interface, Cu sheet and Al sheet interface, and Al rivet and Al sheet interface) which revealed intricate yet distinct bonding phenomenon for each interface. A nano-scale diffusion layer in addition to two-way material flow consequential heterogeneous lamellar structures and mechanical interlocking was formed at the Al rivet and Cu sheet interface; Cu particles diffused into a non-uniform thickness thin oxide layer at the Cu sheet and Al sheet interface; and Al sheet experienced grain refinement near the interface close to Al rivet with a nano-scale gap. These observations revealed that both mechanical and metallurgical bonding occurred simultaneously in μFSBR. The formation of different bonding mechanisms resulted in superior bonding strength and absorbed energy compared to conventional micro blind riveting joints, which was further confirmed through layer by layer tensile tests.

36 MATERIALS SCIENCE↗

Recyclable Cellulose Fiber Reinforced Vitrimer Composite

Vitrimer is an innovative class of polymeric materials which demonstrates traditional thermoset-like mechanical and chemical resilience while still being able to flow on demand like a traditional thermoplastic through covalently adaptive dynamic linkages. Herein, high-performance cellulose fiber reinforced vitrimer composites are developed using an epoxy-based vitrimer and natural cellulose paper. The reinforced vitrimer composite was fabricated by impregnating the porous structure of cellulose paper with two curable monomers, followed by in-situ polymerization of the monomers inside the fibrous scaffold. The introduction of hydroxyl group present on the cellulosic framework assisted in a faster topological rearrangement of the crosslinked matrix through transesterification exchange reaction, thus imparting various sought-after properties like shape recovery and recyclability via simple thermal reprocessing. Moreover, the reinforced vitrimer composite exhibits superior tensile properties as high as 90 MPa with 15-25 volume% vitrimer loading due to the interfacial adhesion via ester exchange reaction between the epoxy matrix and functionalities on the cellulosic fibers. Noteworthily, the key ingredients of the resulting composite (i.e., epoxy-based vitrimer and cellulose fibers) can be comfortably recycled without using aggressive chemical treatment, enabling composite to be easily recycled or disposed of at the end of service life and assist in reducing the subsequent manufacturing cost. This study would shed light on the development of a recyclable polymer composite with exceptional mechanical properties while simultaneously demonstrating self-healing and shape memory capabilities.

Rohewal, Sargun Singh↗

Additive manufacturing of cobalt-based alloy on tool steel by directed energy deposition

Cladding hard-surfacing alloys on tool steel is an effective approach to enhance the surface properties of tool steel. In this study, a Co-based alloy was deposited on tool steel by Directed Energy Deposition (DED) following a three-factor three-level design of experiment matrix with varied laser power, scan speed, and powder flow rate. The microstructure of the deposits was characterized using scanning electron microscopy (SEM). The residual stress on the surface of the samples was measured by the X-ray diffraction (XRD) sin2? technique. The parameters that produced promising deposits were used to fabricate samples for tensile test, four-point bending test, Charpy impact test, and hardness measurement. Our result reveals that the processing parameters have a significant role in the residual stress of the coatings. Residual stress reduces with the increase of laser energy density. Cracks were found at samples with energy density below a threshold. Tensile testing of the coating/substrate combined structure reveals fracture at the coatings with an ultimate tensile strength of 633.9 ± 54.7 MPa. The bi-material interface survived the tensile test, indicating a strong interfacial bond. The four-point bending test of coating/substrate laminates shows an ultimate flexure strength of 860.6 ± 36.9 MPa. Cracks initiated from the coatings ignored the interface and penetrated the substrate, suggesting a solid bi-material bond. Charpy impact test shows the absorbed energy of coating/substrate laminates is more than doubled that of the substrate.

36 MATERIALS SCIENCE↗

Molecular origins of the zeta potential

The zeta potential (ZP) is an oft-reported measure of the macroscopic charge state of solid surfaces and colloidal particles in contact with solvents. However, the origin of this readily measurable parameter has remained divorced from the molecular-level processes governing the underlying electrokinetic phenomena, which limits its usefulness. Here, we connect the macroscopic measure to the microscopic realm through nonequilibrium molecular dynamics simulations of electroosmotic flow between parallel slabs of the hydroxylated (110) rutile (TiO 2 ) surface. These simulations provided streaming mobilities, which were converted to ZP via the commonly used Helmholtz-Smoluchowski equation. A range of rutile surface charge densities (0.1 to –0.4 C/m 2 ), corresponding to pH values between about 2.8 and 9.4, in RbCl, NaCl, and SrCl 2 aqueous solutions, were modeled and compared to experimental ZPs for TiO 2 particle suspensions. Simulated ZPs qualitatively agree with experiment and show that “anomalous” ZP values and inequalities between the point of zero charge derived from electrokinetic versus pH titration measurements both arise from differing co- and counterion sorption affinities. We show that at the molecular level the ZP arises from the delicate interplay of spatially varying dynamics, structure, and electrostatics in a narrow interfacial region within about 15 Å of the surface, even in dilute salt solutions. This contrasts fundamentally with continuum descriptions of such interfaces, which predict the ZP response region to be inversely related to ionic strength. In reality the properties of this interfacial region are dominated by relatively immobile and structured water. Furthermore, viscosity values are substantially greater than in the bulk, and electrostatic potential profiles are oscillatory in nature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Research Progress towards Understanding the Unique Interfaces between Concentrated Electrolytes and Electrodes for Energy Storage Applications

The electrolyte is an indispensable component in all electrochemical energy storage and conversion devices with batteries being a prime example. While most research efforts have been pursued on the materials side, the progress for the electrolyte is slow due to the decomposition of salts and solvents at low potentials, not to mention their complicated interactions with the electrode materials. The general properties of bulk electrolytes such as ionic conductivity, viscosity, and stability all affect the cell performance. However, for a specific electrochemical cell in which the cathode, anode, and electrolyte are optimized, it is the interface between the solid electrode and the liquid electrolyte, generally referred to as the solid electrolyte interphase (SEI), that dictates the rate of ion flow in the system. The commonly used electrolyte is within the range of 1–1.2 m based on the prior optimization experience, leaving the high concentration region insufficiently recognized. Recently, electrolytes with increased concentration (>1.0 m ) have received intensive attention due to quite a few interesting discoveries in cells containing concentrated electrolytes. The formation mechanism and the nature of the SEI layers derived from concentrated electrolytes could be fundamentally distinct from those of the traditional SEI and thus enable unusual functions that cannot be realized using regular electrolytes. In this article, we provide an overview on the recent progress of high concentration electrolytes in different battery chemistries. The experimentally observed phenomena and their underlying fundamental mechanisms are discussed. New insights and perspectives are proposed to inspire more revolutionary solutions to address the interfacial challenges.

25 ENERGY STORAGE↗

Microfluidic electrochemical cell for in situ structural characterization of amorphous thin-film catalysts using high-energy X-ray scattering

Porous, high-surface-area electrode architectures are described that allow structural characterization of interfacial amorphous thin films with high spatial resolution under device-relevant functional electrochemical conditions using high-energy X-ray (>50 keV) scattering and pair distribution function (PDF) analysis. Porous electrodes were fabricated from glass-capillary array membranes coated with conformal transparent conductive oxide layers, consisting of either a 40 nm–50 nm crystalline indium tin oxide or a 100 nm–150 nm-thick amorphous indium zinc oxide deposited by atomic layer deposition. These porous electrodes solve the problem of insufficient interaction volumes for catalyst thin films in two-dimensional working electrode designs and provide sufficiently low scattering backgrounds to enable high-resolution signal collection from interfacial thin-film catalysts. For example, PDF measurements were readily obtained with 0.2 Å spatial resolution for amorphous cobalt oxide films with thicknesses down to 60 nm when deposited on a porous electrode with 40 µm-diameter pores. This level of resolution resolves the cobaltate domain size and structure, the presence of defect sites assigned to the domain edges, and the changes in fine structure upon redox state change that are relevant to quantitative structure–function modeling. The results suggest the opportunity to leverage the porous, electrode architectures for PDF analysis of nanometre-scale surface-supported molecular catalysts. In addition, a compact 3D-printed electrochemical cell in a three-electrode configuration is described which is designed to allow for simultaneous X-ray transmission and electrolyte flow through the porous working electrode.

36 MATERIALS SCIENCE↗

Droplet breakup by multimodal nonlinear Rayleigh Taylor instability

A droplet impacted by a shock wave will undergo a process of fragmentation due to the development of interfacial hydrodynamic instabilities. The interface experiences variable acceleration and shear that result in the development of both inertial (Rayleigh–Taylor) and shear (Kelvin–Helmholtz) instabilities. These perturbations grow in time and drive the fragmentation and breakup of the deformed droplet. Experiments are performed on nominally 0.86 mm water droplet subjected to a Mach 7.6 detonation wave, resulting in a high Weber number (~36,000) breakup event. Perturbation growth is measured from a series of high-speed (> MHz) shadowgraph images. It is proposed that, given the size of the large-scale perturbations observed in experiments, these instabilities are growing in the non-linear regime and can be described by bubble-merger models for nonlinear mixing. Calculations are performed for the growth rates and size of these instabilities using deformation and external flow models to establish the time-dependent boundary conditions. The concurrence of the measured perturbation widths and the predictions of the simple model lend credence to the theory. This novel approach serves to open a new avenue in the characterization of droplet breakup via hydrodynamic instabilities.

Droplet breakup↗

Development of an Atomization Methodology for Spray Combustion

In liquid rocket propulsion, the knowledge and the understanding of liquid-gas interfacial phenomena are very important. This is important for predicting the onset of cavitation occurring in swirl injection elements used in STME, as well as atomization processes in shear-induced injectors (co-axial) and impinging injector elements. From the fact that all the physical processes including droplet size distribution, droplet dispersion, mixing and combustion are controlled by atomization processes, it is expected that the successful incorporation of the volume of fraction (VOF) will greatly enhance the analytical capability of predicting spray combustion processes in liquid-fueled engines. In this paper, a methodology is developed to define and track interfaces between two fluids in non-orthogonal, body-fitted grids using a single fractional volume of fluid (VOF) variable to describe the distribution of the liquid phase in a gas-liquid flow field. This method was implemented in a mature CFD code MAST (Multiphase All-Speed Transient) utilizing the general PISO-C algorithm. For the preliminary study on the analysis of spray combustion and tracking of the interface between two phases, we will report on the progress of the simulation of the instability on the liquid column; the surface wave instability and the droplet breakup from the liquid surface.

Seung, S. P.↗

Emergent Properties of Antiagglomerant Films Control Methane Transport: Implications for Hydrate Management

The relationship between collective properties and performance of antiagglomerants (AAs) used in hydrate management is handled using molecular dynamics simulations and enhanced sampling techniques. A thin film of AAs adsorbed at the interface between one flat sII methane hydrate substrate and a fluid hydrocarbon mixture containing methane and $n$-dodecane is studied. The AA considered is a surface-active compound with a complex hydrophilic head that contains both amide and tertiary ammonium cation groups and hydrophobic tails. At a sufficiently high AA density, the interplay between the surfactant layer and the liquid hydrocarbon excludes methane from the interfacial region. In this scenario, we combine metadynamics and umbrella sampling frameworks to study accurately the free-energy landscape and the equilibrium rates associated with the transport of one methane molecule across the AA film. We observe that the local configurational changes of the liquid hydrocarbon packed within the AA film are associated with high free-energy barriers for methane transport. The time scales estimated for the transport of methane across the AA film can be, in some cases, comparable to those reported in the literature for the growth of hydrates, suggesting that one possible mechanism by which AAs delay the formation of hydrate plugs could be providing a barrier to methane transport. Considering the interplay between the structural design and collective properties of AAs might be of relevance to improve their performance in flow assurance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Unusual Contact-Line Dynamics of Thick Films and Drops

We report several novel phenomena In contact-line and fingering dynamics of macroscopic spinning drops and gravity-driven films with dimensions larger than the capillary length. It is shown through experimental and theoretical analysis that such macroscopic films can exhibit various interfacial shapes, including multi valued ones, near the contact line due to a balance between the external body forces with capillarity. This rich variety of front shapes couples with the usual capillary, viscous, and intermolecular forces at the contact line to produce a rich and unexpected spectrum of contact-line dynamics. A single finger develops when part of the front becomes multivalued on a partially wetting macroscopic spinning drop in contrast to a different mechanism for microscopic drops of completely wetting fluids. Contrary to general expectation, we observe that, at high viscosity and low frequencies of rotation, the speed of a glycerine finger increases with increasing viscosity. Completely wetting Dow Corning 200 Fluid spreads faster over a dry inclined plane than a prewetted one. The presence of a thin prewetted film suppresses fingering both for gravity-driven flow and for spin coating. We analyze some of these unique phenomena in detail and offer qualitative physical explanations for the others.

Veretennikov, Igor↗

Wave effects on ocean-ice interaction in the marginal ice zone

The effects of wave train on ice-ocean interaction in the marginal ice zone are studied through numerical modeling. A coupled two-dimensional ice-ocean model has been developed to include wave effects and wind stress for the predictions of ice edge dynamics. The sea ice model is coupled to the reduced-gravity ocean model through interfacial stresses. The main dynamic balance in the ice momentum is between water-ice stress, wind stress, and wave radiation stresses. By considering the exchange of momentum between waves and ice pack through radiation stress for decaying waves, a parametric study of the effects of wave stress and wind stress on ice edge dynamics has been performed. The numerical results show significant effects from wave action. The ice edge is sharper, and ice edge meanders form in the marginal ice zone owing to forcing by wave action and refraction of swell system after a couple of days. Upwelling at the ice edge and eddy formation can be enhanced by the nonlinear effects of wave action; wave action sharpens the ice edge and can produce ice meandering, which enhances local Ekman pumping and pycnocline anomalies. The resulting ice concentration, pycnocline changes, and flow velocity field are shown to be consistent with previous observations.

Liu, Antony K.↗

Coupled Fluid-Structure Interaction Analysis of Solid Rocket Motor with Flexible Inhibitors

Flexible inhibitors are generally used in solid rocket motors (SRMs) as a means to control the burning of propellant. Vortices generated by the flow of propellant around the flexible inhibitors have been identified as a driving source of instabilities that can lead to thrust oscillations in launch vehicles. Potential coupling between the SRM thrust oscillations and structural vibration modes is an important risk factor in launch vehicle design. As a means to predict and better understand these phenomena, a multidisciplinary simulation capability that couples the NASA production CFD code, Loci/CHEM, with CFDRC's structural finite element code, CoBi, has been developed. This capability is crucial to the development of NASA's new space launch system (SLS). This paper summarizes the efforts in applying the coupled software to demonstrate and investigate fluid-structure interaction (FSI) phenomena between pressure waves and flexible inhibitors inside reusable solid rocket motors (RSRMs). The features of the fluid and structural solvers are described in detail, and the coupling methodology and interfacial continuity requirements are then presented in a general Eulerian-Lagrangian framework. The simulations presented herein utilize production level CFD with hybrid RANS/LES turbulence modeling and grid resolution in excess of 80 million cells. The fluid domain in the SRM is discretized using a general mixed polyhedral unstructured mesh, while full 3D shell elements are utilized in the structural domain for the flexible inhibitors. Verifications against analytical solutions for a structural model under a steady uniform pressure condition and under dynamic modal analysis show excellent agreement in terms of displacement distribution and eigenmode frequencies. The preliminary coupled results indicate that due to acoustic coupling, the dynamics of one of the more flexible inhibitors shift from its first modal frequency to the first acoustic frequency of the solid rocket motor. This insight could have profound implications for SRM and flexible inhibitor designs for current and future launch vehicles including SLS.

Yang, H. Q.↗

Perspectives on Microfluidics for the Study of Asphaltenes in Upstream Hydrocarbon Production: A Minireview

The utilization of microfluidics has generated deep insights into asphaltene precipitation mechanisms and oil–water emulsion stabilization. Agglomeration and precipitation of asphaltenes can cause flow assurance problems during the extraction and transportation of crude oil. Change in temperature, pressure, reservoir conditions, and solvents can change the local environment, leading to asphaltene precipitation. Understanding asphaltene properties and precipitation pathways becomes critical in devising mitigation methods, demulsifiers, and suitable conditions during hydrocarbon processing. Microfluidics has helped in high throughput measurement studies, understanding critical processing conditions, fast demulsifier screening, and the effect of solvent concentration on deposition, generating useful information for utilization at the point of resource extraction facilitating improved resource management. It has become possible to capture the porous, complex nature of reservoir formations and the interaction of chemicals during precipitation through integrated analytics and visualization studies available only through microfluidics. The use of droplet microfluidics, with optical microscopy and high-speed imaging to study the oil–water interface, has resulted in greater understanding of the role of asphaltenes in interfacial properties and emulsion stabilization. Here, this minireview highlights the crucial aspects of microfluidics that have been used to understand physicochemical behavior and dynamics of asphaltene deposition. Some of the unique devices have been presented focusing on the key elements of microfluidics design, fabrication, and analysis, as the insight obtained from microfluidics strongly depends on the device design and the controllability of the experimental parameters. Successful implementation of microfluidics for efficient and controlled experiments, short analysis time scales and rapid screening, and generation of high-quality, reliable data that convey asphaltene deposition issues and interface behavior in emulsions shows the importance of microsystems for advancing knowledge in hydrocarbon production and processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Validation of a Two-Phase CFD Model for Predicting Tank Self-Pressurization in the Ground-Based K-Site Experiment

A two-phase CFD model for self-pressurization of a cryogenic storage tank partially filled with liquid hydrogen is presented using the Volume-Of-Fluid approach for representing the phase boundary and the associated interfacial heat, mass and momentum transfer between the liquid and the vapor regions. The CFD model is validated against self-pressurization experiment performed in the K-site flightweight hydrogen storage tank at NASA Glenn Research Center. Laminar and turbulent simulations together with conjugated heat transfer analysis are performed. Effects of turbulence, as well as tank wall conduction are presented and discussed. Predicted tank pressures and fluid temperatures are compared with the experimental data at two different heat loads for validating the CFD model.

phase change↗

Gas Permeation and Separation Characteristics of Microporous TpHz COF Membranes Synthesized by Substrate-Assisted Interfacial Polymerization

Microporous two-dimensional covalent organic framework (2D COF) membranes offer promise for gas separation applications, but their gas transport mechanism remains unclear. In this study, a TpHz 2D COF membrane supported on a macroporous nylon substrate is prepared by substrate-assisted interfacial polymerization under mild conditions. The formation of a continuous and dense thin (~300 nm thick) TpHz layer is confirmed by scanning electron microscopy and Fourier transform infrared spectroscopy. Characterization by X-ray diffraction, grazing incidence wide-angle X-ray scattering, and N 2 porosimetry qualitatively reveals the microstructures of the supported TpHz membranes, i.e., they comprise partially oriented 2D COF lamellar crystallites with moderate crystallinity in an eclipsed (AA) stacking geometry, centering the effective membrane pore size distribution at ~1.1 nm. Further, single gas permeation data show that the transport of common molecular gases, including H 2 , He, CH 4 , N 2 , and CO 2 , through the synthesized TpHz membranes follows the Knudsen transport mechanism, where single gas permeance decreases with an increasing molecular weight and permeation temperature. Binary gas separation results show that in the equimolar CO 2 /N 2 mixture, the presence of the CO 2 surface flow slightly hinders the N 2 flow at room temperature due to the reduced membrane channel size by the adsorbed CO 2 gas layer on TpHz’s pore wall. In contrast, permeation of the equimolar CH 4 /N 2 binary mixture does not exhibit a discernible surface flow of both gases due to their much lower gas uptake on TpHz, and their transport mechanism follows Knudsen-like behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Surface and grain boundary carbon heterogeneity in CH 3 NH 3 PbI 3 perovskites and its impact on optoelectronic properties

Rivaling state-of-the-art crystalline silicon, organic-inorganic hybrid perovskites have been intensely studied in recent years. Surface and interfacial engineering have been a focus for performance improvement. Even though significant progress has been made during the last decade in terms of the diversity and capability of perovskite-based devices, the structure-property relationship, particularly at the surface, which governs the real-world performance of these applications, is still unresolved. In the article, this issue was addressed by employing synchrotron-related experimental measurements, and a mechanism that correlates microstructure with surface chemistry was resolved. As a powerful and highly sensitive spectromicroscopy, soft x ray photoemission electron microscopy (X-PEEM) was used to probe the surface of perovskite films varying in post solvent annealing. Furthermore, static and in situ grazing incidence hard x ray diffraction (GIXD) was used to track the grain growth dynamics during the film formation process. It was found that the nature of the surfaces was dictated by the local chemistry that varied due to mass flow during the development of the microstructure. Combining optical and electronic characterizations, it was confirmed that a more homogenous chemistry, i.e., uniform chemical components and properties, along with reduced strain and grain boundary energies, yielded more defect-tolerant films. Grain boundaries were more favorable for screening carriers than those in the control film. Our findings underscore the importance of the uniformity in the surface for developing a chemistry-structure-property relationship in perovskite materials, as well as engineering local chemistry toward high-performance and stable devices.

42 ENGINEERING↗