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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 109 records · Page 6

Molecular Dynamics of a Water-Lipid Bilayer Interface

We present results of molecular dynamics simulations of a glycerol 1-monooleate bilayer in water. The total length of analyzed trajectories is 5ns. The calculated width of the bilayer agrees well with the experimentally measured value. The interior of the membrane is in a highly disordered fluid state. Atomic density profile, orientational and conformational distribution functions, and order parameters indicate that disorder increases toward the center of the bilayer. Analysis of out-of-plane thermal fluctuations of the bilayer surfaces occurring at the time scale of the present calculations reveals that the distribution of modes agrees with predictions of the capillary wave model. Fluctuations of both bilayer surfaces are uncorrelated, yielding Gaussian distribution of instantaneous widths of the membrane. Fluctuations of the width produce transient thinning defects in the bilayer which occasionally span almost half of the membrane. The leading mechanism of these fluctuations is the orientational and conformational motion of head groups rather than vertical motion of the whole molecules. Water considerably penetrates the head group region of the bilayer but not its hydrocarbon core. The total net excess dipole moment of the interfacial water points toward the aqueous phase, but the water polarization profile is non-monotonic. Both water and head groups significantly contribute to the surface potential across the interface. The calculated sign of the surface potential is in agreement with that from experimental measurements, but the value is markedly overestimated. The structural and electrical properties of the water-bilayer system are discussed in relation to membrane functions, in particular transport of ions and nonelectrolytes across membranes.

Wilson, Michael A.↗

Dynamic Nucleation of Supercooled Melts and Measurement of the Surface Tension and Viscosity

We investigate the phenomenon of acoustic pressure-induced nucleation by using a novel approach involving the large amplitude resonant radial oscillations and collapse of a single bubble intentionally injected into a supercooled liquid. Using a combination of previously developed and proven techniques, the bubble is suspended in a fluid host by an ultrasonic field which supplies both the levitation capability as well as the forcing of the radial oscillations. We observe the effects of an increase in pressure (due to bubble collapse) in a region no larger than 100 microns within the supercooled melt to rigorously probe the hypothesis of pressure-induced nucleation of the solid phase. The use of single bubbles operating in narrow temporal and spatial scales will allow the direct and unambiguous correlation between the origin and location of the generation of the disturbance and the location and timing of the nucleation event. In a companion research effort, we are developing novel techniques for the non-contact measurements of the surface tension and viscosity of highly viscous supercooled liquids. Currently used non-invasive methods of surface tension measurement for the case of undercooled liquids generally rely of the quantitative determination of the resonance frequencies of drop shape oscillations, of the dynamics of surface capillary waves, or of the velocity of streaming flows. These methods become quickly ineffective when the liquid viscosity rises to a significant value. An alternate and accurate method which would be applicable to liquids of significant viscosity is therefore needed. We plan to develop such a capability by measuring the equilibrium shape of levitated undercooled melt droplets as they undergo solid-body rotation. The experimental measurement of the characteristic point of transition (bifurcation point) between axisymmetric and two-lobed shapes will be used to calculate the surface tension of the liquid. Such an approach has already been validated through the experimental verification of numerical modeling results. The experimental approach involves levitation, melting, and solidification of undercooled droplets using a hybrid ultrasonic-electrostatic technique in both a gaseous as well as a vacuum environment. A shape relaxation method will be investigated in order to derive a reliable method to measure the viscosity of undercooled melts. The analysis of the monotonic relaxation to equilibrium shape of a drastically deformed and super-critically damped free drop has been used to derive interfacial tension of immiscible liquid combinations where one of the component has high viscosity. A standard approach uses the initial elongation of a droplet through shear flows, but an equivalent method could involve the initial deformation of a drop levitated in a gas by ultrasonic radiation pressure, electric stresses, or even solid body rotation. The dynamic behavior of the free drop relaxing back to equilibrium shape will be modeled, and its characteristic time dependence should provide a quantitative means to evaluate the liquid viscosity.

Trinh, E. H.↗

Analysis of ripple formation in single crystal spot welds

Stationary spot welds have been made at the (001) surface of Fe-l5%Ni-15%Cr single crystals using a Gas Tungsten Arc (GTA). On the top surface of the spot welds, very regular and concentric ripples were observed after solidification by differential interference color microscopy. Their height (typically 1--5 micrometers and spacing, typically approximately 60 micrometers) decreased with the radius of the pool. These ripples were successfully accounted for in terms of capillary-wave theory using the fundamental mode frequency f(sub 0) given by the first zero of the zero-order Bessel function. The spacing d between the ripples was then equated to v(sub s)/f(sub 0), where v(sub s) is the solidification rate. From the measured ripple spacing, the velocity of the pool was deduced as a function of the radius, and this velocity was in good agreement with the results of a heat-flow simulation.

Rappaz, M.↗

Vibration-Induced Droplet Atomization

Thermal management is critical to a number of technologies used in a microgravity environment and in Earth-based systems. Examples include electronic cooling, power generation systems, metal forming and extrusion, and HVAC (heating, venting, and air conditioning) systems. One technique that can deliver the large heat fluxes required for many of these technologies is two-phase heat transfer. This type of heat transfer is seen in the boiling or evaporation of a liquid and in the condensation of a vapor. Such processes provide very large heat fluxes with small temperature differences. Our research program is directed toward the development of a new, two-phase heat transfer cell for use in a microgravity environment. In this paper, we consider the main technology used in this cell, a novel technique for the atomization of a liquid called vibration-induced droplet atomization. In this process, a small liquid droplet is placed on a thin metal diaphragm that is made to vibrate by an attached piezoelectric transducer. The vibration induces capillary waves on the free surface of the droplet that grow in amplitude and then begin to eject small secondary droplets from the wave crests. In some situations, this ejection process develops so rapidly that the entire droplet seems to burst into a small cloud of atomized droplets that move away from the diaphragm at speeds of up to 50 cm/s. By incorporating this process into a heat transfer cell, the active atomization and transport of the small liquid droplets could provide a large heat flux capability for the device. Experimental results are presented that document the behavior of the diaphragm and the droplet during the course of a typical bursting event. In addition, a simple mathematical model is presented that qualitatively reproduces all of the essential features we have seen in a burst event. From these two investigations, we have shown that delayed droplet bursting results when the system passes through a resonance condition. This occurs when the initial acceleration of the diaphragm is higher than the critical acceleration and the driving frequency is larger than the initial resonance frequency of the diaphragm-droplet system. We have incorporated this droplet atomization device into a design for a new heat transfer cell for use in a microgravity environment. The cell is essentially a cylindrical container with a hot surface on one end and a cold surface on the other. The vibrating diaphragm is mounted in the center of the cold surface. Heat transfer occurs through droplet evaporation and condensation on the hot and cold ends of the cell. A prototype of this heat transfer cell has been built and tested. It can operate continuously and provides a modest level of heat transfer, about 20 W/sq cm. Our work during the next few years will be to optimize the design of this cell to see if we can produce a device that has significantly better performance than conventional heat exchangers and heat pipes.

Smith, M. K.↗

Acoustic Streaming in Microgravity: Flow Stability and Heat Transfer Enhancement

Experimental results are presented for drops and bubbles levitated in a liquid host, with particular attention given to the effect of shape oscillations and capillary waves on the local flow fields. Some preliminary results are also presented on the use of streaming flows for the control of evaporation rate and rotation of electrostatically levitated droplets in 1 g. The results demonstrate the potential for the technological application of acoustic methods to active control of forced convection in microgravity.

Trinh, E. H.↗

Molecular Dynamics Studies of Structure and Functions of Water-Membrane Interfaces

A large number of essential cellular processes occur at the interfaces between water and membranes. The selectivity and dynamics of these processes are largely determined by the structural and electrical properties of the water-membrane interface. We investigate these properties by the molecular dynamics method. Over the time scales of the simulations, the membrane undergoes fluctuations described by the capillary wave model. These fluctuations produce occasional thinning defects in the membrane which provide effective pathways for passive transport of ions and small molecules across the membrane. Ions moving through the membrane markedly disrupt its structure and allow for significant water penetration into the membrane interior. Selectivity of transport, with respect to ionic charge, is determined by the interfacial electrostatic potential. Many small molecules. of potential significance in catalysis, bioenergetics and pharmacology, are shown to bind to the interface. The energetics and dynamics of this process will be discussed.

Pohorille, Andrew↗

Viewpoint 9--molecular structure of aqueous interfaces

In this review we summarize recent progress in our understanding of the structure of aqueous interfaces emerging from molecular level computer simulations. It is emphasized that the presence of the interface induces specific structural effects which, in turn, influence a wide variety of phenomena occurring near the phase boundaries. At the liquid-vapor interface, the most probable orientations of a water molecule is such that its dipole moment lies parallel to the interface, one O-H bond points toward the vapor and the other O-H bond is directed toward the liquid. The orientational distributions are broad and slightly asymmetric, resulting in an excess dipole moment pointing toward the liquid. These structural preferences persist at interfaces between water and nonpolar liquids, indicating that the interactions between the two liquids in contact are weak. It was found that liquid-liquid interfaces are locally sharp but broadened by capillary waves. One consequence of anisotropic orientations of interfacial water molecules is asymmetric interactions, with respect to the sign of the charge, of ions with the water surface. It was found that even very close to the surface ions retain their hydration shells. New features of aqueous interfaces have been revealed in studies of water-membrane and water-monolayer systems. In particular, water molecules are strongly oriented by the polar head groups of the amphiphilic phase, and they penetrate the hydrophilic head-group region, but not the hydrophobic core. At infinite dilution near interfaces, amphiphilic molecules exhibit behavior different from that in the gas phase or in bulk water. This result sheds new light on the nature of hydrophobic effect in the interfacial regions. The presence of interfaces was also shown to affect both equilibrium and dynamic components of rates of chemical reactions. Applications of continuum models to interfacial problems have been, so far, unsuccessful. This, again, underscores the importance of molecular-level information about interfaces.

Review, Tutorial↗

Advanced Techniques for Improving Wind Direction Ambiguity Removal in Scatterometry

Ocean surface winds, which drive the ocean currents and momentum flux exchanges, are critical for atmospheric and oceanographic studies. Ocean surface winds also generate small capillary waves which affect the normalized radar cross section of the ocean surface. A scatterometer is a microwave radar which measures these cross section values. This talk describes related new techniques.

Scatterometry↗

Optimizing spectral phase transfer in four-wave mixing with gas-filled capillaries

Four-wave mixing (FWM) in gas-filled hollow-core capillaries, a nonlinear optical process that mixes signal and pump photon frequencies to generate idler frequency photons, offers a method for precise spectral phase transfer from signal to idler at ultrashort timescales and extreme powers. However, this regime is challenged by competing linear and nonlinear dynamics, leading to significant trade-offs between spectral phase transfer and conversion efficiency. Our computational investigation focuses on the upconversion of femtosecond pulses from the infrared (IR) to the ultraviolet (UV), a range notoriously difficult to manipulate. We explore an intermediate energy regime that strikes an optimal balance between FWM-mediated phase-transfer fidelity and nonlinear conversion efficiency. By adjusting the energy ratios and spectral phase profiles of the input signal, we achieve conversion efficiencies of approximately 5-15% while maintaining an effective quasi-linear spectral phase transfer. These findings will contribute to establishing first-principles and scaling laws essential for applications such as high-precision imaging, spectroscopy, quantum transduction, and distributed entangled interconnects, facilitating advanced control of ultrafast photonic and electronic wavepackets in quantum materials with unprecedented spatial and temporal precision.

Zhang, Hao↗

Altimeter Observations of Baroclinic Oceanic Inertia-Gravity Wave Turbulence

For a wide range of nonlinear wave processes - from capillary to planetary waves - theory predicts the existence of Kolmogorov-type spectral cascades of energy and other conserved quantities occuring via nonlinear resonant wave-wave interactions. So far, observations of wave turbulence (WT) have been limited to small-scale processes such as surface gravity and capillary-gravity waves.

wave processees capillary waves planetary waves Ko↗

Microwave scatterometer measurements of oceanic wind vector

Results from Seasat-A scatterometer (SASS) remote sensing of oceanic wind vectors are reviewed, together with the theory of radar backscattering. The SASS was designed to measure the surface wind stress and neutral stability wind vector at 19.5 m altitude. Requirements included windspeeds from 4-24 m/sec to within 2 m/sec or 10%, a 1000 km swath, directions from 0-360 deg to within 20 deg, a 50 km resolution cell, and cross-track and along-track spacing between resolution cells of 100 km. The method was based on Bragg scattering of microwaves from cm-length capillary ocean waves. The strength of the backscatter is proportional to the capillary wave amplitude, which is in equilibrium with the ocean surface wind speed. The measurement grouping, least-squares estimator, and dB deviation model function table for the SASS geophysical algorithm are discussed. Comparisons of SASS, GOASEX, and ground truth wind data are made, and a 0.92 correlation between SASS and ground truth data is determined from regression analysis.

Jones, W. L.↗

An investigation of the modulation of capillary and short gravity waves in the open ocean

A preliminary investigation of the modulation of capillary and gravity waves by long ocean waves is described. A pressure transducer is used to obtain water surface displacements, and a high-response laser-optical system is used to detect short-wave slopes. Analytical techniques are developed to account for the orbital motion of long waves. The local mean squared wave slope is found to be maximum leeward of the long-wave crests. For the long waves studied here and for short waves from 1 cm to 1 m, the longer a short-wave component is, the more leeward its maximum tends to occur. Also, the shortest waves tend to modulate least. The modulation of short waves is found to be strong enough to be an important component of the synthetic aperture radar image formation mechanism for long ocean waves.

Evans, D. D.↗

Does the scatterometer see wind speed or friction velocity?

Studies of radar backscatter from the sea surface are referred either to the wind speed, U, or friction velocity, u(sub *). Bragg scattering theory suggests that these variations in backscatter are directly related to the height of the capillary-gravity waves modulated by the larger waves in tilt and by straining of the short wave field. The question then arises as to what characteristic of the wind field is most probably correlated with the wave number spectrum of the capillary-gravity waves. The justification for selecting U as the appropriate meteorological parameter to be associated with backscatter from L-band to Ku-band are reviewed. Both theoretical reasons and experimental evidence are used to demonstrate that the dominant parameter is U/C(lambda) where U is the wind speed at a height of about lambda/2 for waves having a phase speed of C(lambda).

Donelan, M. A.↗

Breakup of Droplets in an Accelerating Gas Flow

A study of droplet breakup phenomena by an accelerating gas flow is described. The phenomena are similar to what propellant droplets experience when exposed to accelerating combustion gas flow in a rocket engine combustion zone. Groups of several dozen droplets in the 100-10 750-micron-diameter range were injected into a flowing inert gas in a transparent rectangular nozzle. Motion photography of the behavior of the droplets at various locations in the accelerating gas flow has supplied quantitative and qualitative data on the breakup phenomena which occur under conditions similar to those found in large rocket engine combustors. A blowgun injection device, used to inject very small amounts of liquid at velocities of several hundred feet per second into a moving gas stream, is described. The injection device was used to inject small amounts of liquid RP-1 and water into the gas stream at a velocity essentially equal to the gas velocity where the group of droplets was allowed to stabilize its formation in a constant area section before entering the convergent section of the transparent nozzle. Favorable comparison with the work of previous investigators who have used nonaccelerating gas flow is found with the data obtained from this study with accelerating gas flow. The criterion for the conditions of minimum severity required to produce shear-type droplet breakup in an accelerating gas flow is found to agree well with the criterion previously established at Rocketdyne for breakup in nonaccelerating flow. An extension of the theory of capillary surface wave effects during droplet breakup is also presented. Capillary surface waves propagating in the surface of the droplet, according to classical hydrodynamical laws, are considered. The waves propagate tangentially over the surface of the droplet from the forward stagnation point to the major diameter. Consideration of the effects of relative gas velocity on the amplitude growth of these waves allows conclusions to be made regarding rates of the droplet breakup processes and total time of the breakup process.

Dickerson, R. A.↗

The non-Gaussian joint probability density function of slope and elevation for a nonlinear gravity wave field

On the basis of the mapping method developed by Huang et al. (1983), an analytic expression for the non-Gaussian joint probability density function of slope and elevation for nonlinear gravity waves is derived. Various conditional and marginal density functions are also obtained through the joint density function. The analytic results are compared with a series of carefully controlled laboratory observations, and good agreement is noted. Furthermore, the laboratory wind wave field observations indicate that the capillary or capillary-gravity waves may not be the dominant components in determining the total roughness of the wave field. Thus, the analytic results, though derived specifically for the gravity waves, may have more general applications.

Huang, N. E.↗

Spatially Quasi-Periodic Water Waves of Infinite Depth

Abstract We formulate the two-dimensional gravity-capillary water wave equations in a spatially quasi-periodic setting and present a numerical study of solutions of the initial value problem. We propose a Fourier pseudo-spectral discretization of the equations of motion in which one-dimensional quasi-periodic functions are represented by two-dimensional periodic functions on a torus. We adopt a conformal mapping formulation and employ a quasi-periodic version of the Hilbert transform to determine the normal velocity of the free surface. Two methods of time-stepping the initial value problem are proposed, an explicit Runge–Kutta (ERK) method and an exponential time-differencing (ETD) scheme. The ETD approach makes use of the small-scale decomposition to eliminate stiffness due to surface tension. We perform a convergence study to compare the accuracy and efficiency of the methods on a traveling wave test problem. We also present an example of a periodic wave profile containing vertical tangent lines that is set in motion with a quasi-periodic velocity potential. As time evolves, each wave peak evolves differently, and only some of them overturn. Beyond water waves, we argue that spatial quasi-periodicity is a natural setting to study the dynamics of linear and nonlinear waves, offering a third option to the usual modeling assumption that solutions either evolve on a periodic domain or decay at infinity.

Wilkening, Jon (ORCID:0000000327827596)↗

On the variation and growth of wave-slope spectra in the capillary-gravity range with increasing wind

A new laser device has been used to make direct wave-slope measurements in the capillary-gravity range. Owing to the design principles, the digital nature of the system and the use of a laser beam as a probe, the earlier problems of intensity variations and meniscus effects were avoided. Using this new technique, wave-slope spectra both down and across the channel were obtained for different wind conditions, along with corresponding mean-square slope values. Comparisons are made with existing data. The results indicate that a quasi-equilibrium state may exist for each wind speed and that it increases in intensity with increasing wind, which may imply an asymptotic nature for the equilibrium-range coefficient. From the data, two significant frictional velocities, 17.5 and 31 cm/s respectively, are identified as critical values for different ranges of wave development.

Long, S. R.↗