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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Rotational and translational diffusion of liquid n-hexane: EFP-based molecular dynamics analysis

Molecular Dynamics (MD) simulations based on the Effective Fragment Potential (EFP) method are utilized to provide a comprehensive assessment of diffusion in liquid n-hexane. We decompose translational diffusion into components along and orthogonal to the long axis of the molecule. Rotational diffusion is decomposed into tumbling and spinning motions about this axis. Our analysis yields four corresponding diffusion coefficients which are related to diagonal entries in the complete 6 × 6 diffusion tensor accounting for the three rotational and three translational degrees of freedom and for the potential coupling between them. However, coupling between different degrees of freedom is expected to be minimal for a natural choice of the molecular body-fixed axis, so then off-diagonal entries in the tensor are negligible. This expectation is supported by a hydrodynamic analysis of the diffusion tensor which treats the liquid surrounding the molecule being tracked as a viscous continuum. Thus, the EFP MD analysis provides a comprehensive characterization of diffusion and also reveals expected shortcomings of the hydrodynamic treatment, particularly for rotational diffusion, when applied to neat liquids.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Mesoscopic two-point collective dynamics of glass-forming liquids

The collective density–density and hydrostatic pressure–pressure correlations of glass-forming liquids are spatiotemporally mapped out using molecular dynamics simulations. It is shown that the sharp rise of structural relaxation time below the Arrhenius temperature coincides with the emergence of slow, nonhydrodynamic collective dynamics on mesoscopic scales. The observed long-range, nonhydrodynamic mode is independent of wave numbers and closely coupled to the local structural dynamics. Below the Arrhenius temperature, it dominates the slow collective dynamics on length scales immediately beyond the first structural peak in contrast to the well-known behavior at high temperatures. Furthermore, these results highlight a key connection between the qualitative change in mesoscopic two-point collective dynamics and the dynamic crossover phenomenon.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Diffusion-mediated passing of molecular species in linear nanopores constrained by orientational alignment

For diffusion-mediated catalytic conversion reactions in materials with narrow linear nanopores, e.g., mesoporous silica MCM-41, a key parameter is the propensity for product species to be able to pass reactant species and thus to efficiently exit the pore. For elongated species, this can require orientational alignment with the pore axis. In this work, we perform benchmark analyses for such solution-phase systems where one of these species is elongated in order to quantify the dependence of this passing propensity, P, on pore diameter and on the rotational diffusion coefficient, Dr, of the elongated species. In particular, we consider the passing of a spherical and an elongated spherocylindrical shaped species in a cylindrical pore in an implicit solvent, where these species cannot overlap. Passing is mediated by diffusive Brownian motion of these species as described by strongly damped Langevin dynamics. We quantify scaling of P for pore width just above the threshold where passing is sterically blocked, and also reveal a significant decrease in P for lower Dr. We also consider the dependence of P on the aspect ratio of the elongated species and obtain an exact result in the limiting regime of large aspect ratio.

Brownian motion↗
DOE OSTI2025

Rotation of electrothermal-instability-driven overheating structure due to helically oriented surface magnetic field on a high-current-density aluminum rod

Experiments on the 1-MA, 100-ns-rise-time Mykonos Facility demonstrate rotation of electrothermal instability (ETI)-driven overheating structure on 1.00-mm-diameter, 10-nm-surface roughness, 99.999%-pure aluminum rods, which are pulsed with helically polarized surface magnetic field. Rods are machined to include pairs of 10-micron-scale quasi-hemispherical voids or “engineered defects (ED)” which provide the dominant current density perturbation from which ETI grows most rapidly. Experiments include an axial magnetic field component through the addition of a helically wound return-current electrode or “helical return can (HRC).” For a given HRC design, azimuthal field (B ɵ ) and axial field (B z ) components rise at a prescribed and fixed ratio, driving an increasing magnetic field of constant polarization at the rod's surface; most experiments generated surface magnetic field at a 15-degree field polarization angle (from horizontal) defined as ɸ B = arctan(B z /B ɵ ). ETI-driven emission patterns from individual ED are observed to rotate along ɸ B , while emission patterns from dielectric-coated ED pairs are shown to elongate and preferentially merge along ɸ B , in qualitative agreement with 3D-magnetohydrodynamic simulations. These data strongly support that for a randomized distribution of current density perturbations on a high-current density conductor, nearby perturbations will favorably merge about ɸ B , with the degree of merging increasing with current. Such observations offer fundamental new understanding of the seeding mechanisms of the helical magneto-Rayleigh Taylor (MRT) instabilities observed from axially magnetized magnetically driven imploding liners.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1967

Impact cratering in granular materials.

Projectile impact cratering in granular materials, noting parameters determining crater size and volume and experimental agreement with hydrodynamic cratering theory

Cook, M. A.↗
NASA NTRS1980

The radiation of sound by the instability waves of a compressible plane turbulent shear layer

The problem of acoustic radiation generated by instability waves of a compressible plane turbulent shear layer is solved. The solution provided is valid up to the acoustic far-field region. It represents a significant improvement over the solution obtained by classical hydrodynamic-stability theory which is essentially a local solution with the acoustic radiation suppressed. The basic instability-wave solution which is valid in the shear layer and the near-field region is constructed in terms of an asymptotic expansion using the method of multiple scales. This solution accounts for the effects of the slightly divergent mean flow. It is shown that the multiple-scales asymptotic expansion is not uniformly valid far from the shear layer. Continuation of this solution into the entire upper half-plane is described. The extended solution enables the near- and far-field pressure fluctuations associated with the instability wave to be determined. Numerical results show that the directivity pattern of acoustic radiation into the stationary medium peaks at 20 degrees to the axis of the shear layer in the downstream direction for supersonic flows. This agrees qualitatively with the observed noise-directivity patterns of supersonic jets.

Tam, C. K. W.↗
NASA NTRS1982

Thresholds for the onset of fluid and magnetofluid turbulence

Linear stability calculations conducted in plasma physics are based on the theory of hydrodynamic stability of neutral fluids. The present investigation is concerned with the validity of procedures based on linear stability analysis in six much-studied situations. All have the property that the fluid goes from laminar to turbulent at critical values of some dimensionless number, such as the Reynolds number or the Rayleigh number. The question is, at what threshold values of the dimensionless number do the unstable motions set in, and can these thresholds be predicted by a linear analysis of the stability of the laminar state as the threshold is approached from the stable side. In three cases linear stability analysis clearly seems to fail. These cases include Plane Poiseuille Flow, Plane Couette Flow, and Cylindrical Pipe Flow (Hagen-Poiseuille Flow). Situations in which predictions provided by linear stability analysis are correct are related to Rotating Couette Flow, Thermally-Driven Convection, and Instability of Laminar Boundary Layers.

Montgomery, D.↗
NASA NTRS1984

On the detection of underwater bottom topography by imaging radars

A theoretical model which explains basic properties of radar imaging of underwater bottom topography in tidal channels is presented. The surface roughness modulation is described by weak hydrodynamic interaction theory in the relaxation time approximation. In contrast to previous theories on short wave modulation by long ocean waves, a different approximation is used to describe short wave modulation by tidal flow over underwater bottom topography. The modulation depth is proportional to the relaxation time of the Bragg waves. The large modulation of radar reflectivity observed in SEASAT-SAR imagery of sand banks in the Southern Bight of the North Sea are explained by assuming that the relaxation time of 34 cm Bragg waves is of the order of 30-40 seconds.

Alpers, W.↗
NASA NTRS1989

High accuracy thermal conductivity measurements near the lambda transition of helium with very high temperature resolution

Over the past few years extensive thermal conductivity measurements near the lambda point of helium were made. The original goal of measuring the thermal conductivity with a resolution of t = T/T sub lambda -1 of 3 x 10(-8) was reached, but with somewhat less accuracy than was hoped. Subtle effects in the apparatus near the transition were observed which reduced the ability to interpret the results. Nevertheless, for resolution of t is greater than or equal to 10(-7) reliable data was obtained, extending previous measurements by more than an order of magnitude. Deviations from theoretical predictions were observed for t is less than or equal to 3 x 10(-6) leading to the question of the validity of the present renormalization group analysis of transport properties, at least for the case of helium. This anomaly led to closer examination of the boundary effects in the measurements. During the experiments a totally unexpected effect in the very dilute He-3 - He-4 mixtures was observed which led to the explanation of the anomalous results. The concentration dependence of the thermal conductivity near T sub lambda in the superfluid phase was found to deviate strongly from the predictions. The results gave an independent verification of this behavior and caused reanalysis of the Khalatnikov theory of hydrodynamics of the mixtures. An alternative solution was found which is in better agreement with the experiment.

Fairbank, William M.↗
NASA NTRS1988

Inflow/outflow boundary conditions and global dynamics of spatial mixing layers

The numerical simulation of incompressible spatially-developing shear flows poses a special challenge to computational fluid dynamicists. The Navier-Stokes equations are elliptic and boundary equations need to be specified at the inflow and outflow boundaries in order to compute the fluid properties within the region of interest. It is, however, difficult to choose inflow and outflow conditions corresponding to a given experimental situation. Furthermore the effects that changes in the boundary conditions or in the size of the computational domain may induce on the global dynamics of the flow are presently unknown. These issues are examined in light of recent developments in hydrodynamic stability theory. The particular flow considered is the spatial mixing layer but it was expected that similar phenomena were bound to occur in other cases such as channel flow, the boundary layer, etc. A short summary of local/global and absolute/convective instability concepts is given. The results of numerical simulations are presented which strongly suggest that global resonances may be triggered in domains of finite streamwise extent although the evolution of the perturbation vorticity field is everywhere locally convective. A relationship between finite domains and pressure sources which might help in devising a scheme to eliminate these difficulties is discussed.

Buell, J. C.↗
NASA NTRS1990

Modern developments in shear flow control with swirl

Passive and active control of swirling turbulent jets is experimentally investigated. Initial swirl distribution is shown to dominate the free jet evolution in the passive mode. Vortex breakdown, a manifestation of high intensity swirl, was achieved at below critical swirl number (S = 0.48) by reducing the vortex core diameter. The response of a swirling turbulent jet to single frequency, plane wave acoustic excitation was shown to depend strongly on the swirl number, excitation Strouhal number, amplitude of the excitation wave, and core turbulence in a low speed cold jet. A 10 percent reduction of the mean centerline velocity at x/D = 9.0 (and a corresponding increase in the shear layer momentum thickness) was achieved by large amplitude internal plane wave acoustic excitation. Helical instability waves of negative azimuthal wave numbers exhibit larger amplification rates than the plane waves in swirling free jets, according to hydrodynamic stability theory. Consequently, an active swirling shear layer control is proposed to include the generation of helical instability waves of arbitrary helicity and the promotion of modal interaction, through multifrequency forcing.

Farokhi, Saeed↗
NASA NTRS1990

Instability of a supersonic shock free elliptic jet

This paper presents a comparison of the measured and the computed spatial stability properties of an aspect ratio 2 supersonic shock free elliptic jet. The shock free nature of the elliptic jet provides an ideal test of validity of modeling the large scale coherent structures in the initial mixing region of noncircular supersonic jets with linear hydrodynamic stability theory. Both aerodynamic and acoustic data were measured. The data are used to compute the mean velocity profiles and to provide a description of the spatial composition of pressure waves in the elliptic jet. A hybrid numerical scheme is applied to solve the Rayleigh problem governing the inviscid linear spatial stability of the jet. The measured mean velocity profiles are used to provide a qualitative model for the cross sectional geometry and the smooth velocity profiles used in the stability analysis. Computational results are presented for several modes of instability at two jet cross sections. The acoustic measurements show that a varicose instability is the jet's perferred mode of motion. The stability analysis predicts that the Strouhal number varies linearly as a function of axial distance in the jet's initial mixing region, which is in good qualitative agreement with previous measurements.

Baty, Roy S.↗
NASA NTRS1990

Instability of a supersonic shock-free elliptic jet

A comparison of the measured and the computed spatial stability properties of an aspect ratio 2, supersonic, shock free, elliptic jet is presented. The shock free nature of the elliptic jet furnishes a perfect test of the validity of modeling the large scale coherent structures in the initial mixing region of noncircular supersonic jets with the linear hydrodynamic stability theory. Aerodynamic and acoustic data are measured to compute the mean velocity profiles and to provide a description of the spatial composition of pressure waves in the elliptic jet. The measured mean velocity profiles are employed to provide a qualitative model for the cross sectional geometry and the smooth velocity profiles utilized in the stability analysis. It is shown that the measured frequency associated with peak amplitude noise radiation agrees with that frequency predicted to dominate the large scale structure near the end of the potential core.

Baty, Roy S.↗
NASA NTRS1990

Modern developments in shear flow control with swirl

Passive and active control of swirling turbulent jets is experimentally investigated. Initial swirl distribution is shown to dominate the free jet evolution in the passive mode. Vortex breakdown, a manifestation of high intensity swirl, was achieved at below critical swirl number (S = 0.48) by reducing the vortex core diameter. The response of a swirling turbulent jet to single frequency, plane wave acoustic excitation was shown to depend strongly on the swirl number, excitation Strouhal number, amplitude of the excitation wave, and core turbulence in a low speed cold jet. A 10 percent reduction of the mean centerline velocity at x/D = 9.0 (and a corresponding increase in the shear layer momentum thickness) was achieved by large amplitude internal plane wave acoustic excitation. Helical instability waves of negative azimuthal wave numbers exhibit larger amplification rates than the plane waves in swirling free jets, according to hydrodynamic stability theory. Consequently, an active swirling shear layer control is proposed to include the generation of helical instability waves of arbitrary helicity and the promotion of modal interaction, through multifrequency forcing.

Farokhi, S.↗
NASA NTRS1952

Short-bearing approximation for full journal bearings

A short-bearing approximation of pressure distribution in the oil film is presented which is an extension of the pressure-distribution function of Michell and Cardullo and includes end-leakage effects. Equations giving applied load, attitude angle, location and magnitude of peak film pressure, friction, and required oil flow rate as functions of the eccentricity ratio are also given. The capacity number, a basic non dimensional quantity resulting from this analysis is the product of the Sommerfeld number and the square of the length-diameter ratio. Curves determined by this analysis are compared with previously published experimental data and theoretical curves of Sommerfeld and Cameron and Wood. Conclusions reached indicate that this approximation is of practical value for analysis of short bearings.

FRICTION AND LUBRICATION - HYDRODYNAMIC THEORY↗
NASA NTRS1952

A theoretical investigation of the effect of partial wing lift of hydrodynamic landing characteristics of V-bottom seaplanes in step impacts

A theoretical investigation is made of the loads and motions in water-landing impacts of wide prismatic V-bottom seaplanes for constant partial wing-lift conditions where the resultant velocity of the seaplane is normal to the keel. An approximate method is given for applying the results of this investigation to the more general case of oblique impact. The increase in vertical hydrodynamic load factor due to wing-lift reduction is shown to be approximately 133 percent of the decrease in air load.

HYDRODYNAMIC THEORY↗