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NASA NTRS1931

Investigation of certain wing shapes with sections varying progressively along the span

This investigation has a double object: 1) the calculation of the general characteristics of certain wings with progressively varying sections; 2) the determination of data furnishing, in certain cases, some information on the actual distribution of the external forces acting on a wing. We shall try to show certain advantages belonging to the few wing types of variable section which we shall study and that, even if the general aerodynamic coefficients of these wings are not often clearly superior to those of certain wings of uniform section, the wings of variable section nevertheless have certain advantages over those of uniform section in the distribution of the attainable stresses.

Arsandaux, L↗

DOE OSTI2019

Improving Monsoon Precipitation Prediction Using Combined Convolutional and Long Short Term Memory Neural Network

Precipitation downscaling is widely employed for enhancing the resolution and accuracy of precipitation products from general circulation models (GCMs). In this study, we propose a novel statistical downscaling method to foster GCMs’ precipitation prediction resolution and accuracy for the monsoon region. We develop a deep neural network composed of a convolution and Long Short Term Memory (LSTM) recurrent module to estimate precipitation based on well-resolved atmospheric dynamical fields. The proposed model is compared against the GCM precipitation product and classical downscaling methods in the Xiangjiang River Basin in South China. Results show considerable improvement compared to the European Centre for Medium-Range Weather Forecasts (ECMWF)-Interim reanalysis precipitation. Also, the model outperforms benchmark downscaling approaches, including (1) quantile mapping, (2) the support vector machine, and (3) the convolutional neural network. To test the robustness of the model and its applicability in practical forecasting, we apply the trained network for precipitation prediction forced by retrospective forecasts from the ECMWF model. Compared to the ECMWF precipitation forecast, our model makes better use of the resolved dynamical field for more accurate precipitation prediction at lead times from 1 day up to 2 weeks. This superiority decreases with the forecast lead time, as the GCM’s skill in predicting atmospheric dynamics is diminished by the chaotic effect. Finally, we build a distributed hydrological model and force it with different sources of precipitation inputs. Hydrological simulation forced with the neural network precipitation estimation shows significant advantage over simulation forced with the original ERA-Interim precipitation (with NSE value increases from 0.06 to 0.64), and the performance is only slightly worse than the observed precipitation forced simulation (NSE = 0.82). This further proves the value of the proposed downscaling method, and suggests its potential for hydrological forecasts.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

Ionic strength independence of charge distributions in solvation of biomolecules

Electrostatic forces enormously impact the structure, interactions, and function of biomolecules. We perform all-atom molecular dynamics simulations for 5 proteins and 5 RNAs to determine the dependence on ionic strength of the ion and water charge distributions surrounding the biomolecules, as well as the contributions of ions to the electrostatic free energy of interaction between the biomolecule and the surrounding salt solution (for a total of 40 different biomolecule/solvent combinations). Although water provides the dominant contribution to the charge density distribution and to the electrostatic potential even in 1M NaCl solutions, the contributions of water molecules and of ions to the total electrostatic interaction free energy with the solvated biomolecule are comparable. The electrostatic biomolecule/solvent interaction energies and the total charge distribution exhibit a remarkable insensitivity to salt concentrations over a huge range of salt concentrations (20 mM to 1M NaCl). The electrostatic potentials near the biomolecule's surface obtained from the MD simulations differ markedly, as expected, from the potentials predicted by continuum dielectric models, even though the total electrostatic interaction free energies are within 11% of each other.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1993

Mesoscale disturbances in the tropical stratosphere excited by convection - Observations and effects on the stratospheric momentum budget

Aircraft temperature and pressure measurements as well as satellite imagery are used to establish the amplitudes and the space and time scale of potential temperature disturbances over convective systems. A conceptual model is proposed for the generation of mesoscale gravity waves by convection. The momentum forcing that a reasonable distribution of convection might exert on the tropical stratosphere through convectively excited mesoscale gravity waves of the observed amplitudes is estimated. Aircraft measurements show that presence of mesoscale disturbances in the lower stratospheric temperature, disturbances that appear to be associated with underlying convection. If the disturbances are convectively excited mesoscale gravity waves, their amplitude is sufficient that their breakdown in the upper stratosphere will exert a zonal force comparable to but probably smaller than the planetary-scale Kelvin waves.

Pfister, Leonhard↗

NASA NTRS1991

Phytoplankton pigment patterns and wind forcing off central California

Mesoscale variability in phytoplankton pigment distributions of central California during the spring-summer upwelling season are studied via a 4-yr time series of high-resolution coastal zone color scanner imagery. Empirical orthogonal functions are used to decompose the time series of spatial images into its dominant modes of variability. The coupling between wind forcing of the upper ocean and phytoplankton distribution on mesoscales is investigated. Wind forcing, in particular the curl of the wind stress, was found to play an important role in the distribution of phytoplankton pigment in the California Current. The spring transition varies in timing and intensity from year to year but appears to be a recurrent feature associated with the rapid onset of the upwelling-favorable winds. Although the underlying dynamics may be dominated by processes other than forcing by wind stress curl, it appears that curl may force the variability of the filaments and hence the pigment patterns.

Abbott, Mark R.↗

DOE OSTI2014

Poisson-Nernst-Planck-Fermi theory for modeling biological ion channels

A Poisson-Nernst-Planck-Fermi (PNPF) theory is developed for studying ionic transport through biological ion channels. Our goal is to deal with the finite size of particle using a Fermi like distribution without calculating the forces between the particles, because they are both expensive and tricky to compute. We include the steric effect of ions and water molecules with nonuniform sizes and interstitial voids, the correlation effect of crowded ions with different valences, and the screening effect of water molecules in an inhomogeneous aqueous electrolyte. Including the finite volume of water and the voids between particles is an important new part of the theory presented here. Fermi like distributions of all particle species are derived from the volume exclusion of classical particles. Volume exclusion and the resulting saturation phenomena are especially important to describe the binding and permeation mechanisms of ions in a narrow channel pore. The Gibbs free energy of the Fermi distribution reduces to that of a Boltzmann distribution when these effects are not considered. The classical Gibbs entropy is extended to a new entropy form — called Gibbs-Fermi entropy — that describes mixing configurations of all finite size particles and voids in a thermodynamic system where microstates do not have equal probabilities. The PNPF model describes the dynamic flow of ions, water molecules, as well as voids with electric fields and protein charges. The model also provides a quantitative mean-field description of the charge/space competition mechanism of particles within the highly charged and crowded channel pore. The PNPF results are in good accord with experimental currents recorded in a 10{sup 8}-fold range of Ca{sup 2+} concentrations. The results illustrate the anomalous mole fraction effect, a signature of L-type calcium channels. Moreover, numerical results concerning water density, dielectric permittivity, void volume, and steric energy provide useful details to study a variety of physical mechanisms ranging from binding, to permeation, blocking, flexibility, and charge/space competition of the channel.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Sensitivities of the West Greenland Current to Greenland Ice Sheet Meltwater in a Mesoscale Ocean/Sea Ice Model

Abstract Meltwater from the Greenland Ice Sheet can alter the continental shelf/slope circulation and cross-shelf freshwater fluxes and limit deep convection in adjacent basins through surface freshening. We explore the impacts on the West Greenland Current and eastern Labrador Sea with different vertical distributions of the meltwater forcing. In this study, we present the results from global coupled ocean/sea ice simulations, forced with atmospheric reanalysis, that are mesoscale eddy-active (∼2–3-km horizontal spacing) and eddy-permitting (∼6–7-km horizontal spacing) in the study region. We compare the West Greenland Current in mesoscale eddy-active and eddy-permitting without meltwater to highlight the role of small-scale features. The mesoscale eddy-active configuration is then used to assess the change in the eastern Labrador Sea when meltwater is added to the surface or vertically distributed to account for mixing within fjords. In both simulations with meltwater, the West Greenland and West Greenland Coastal Currents are faster than in the simulation with no meltwater; their mean surface speeds are the highest in the vertical distribution case. In the latter case, there is enhanced baroclinic conversion at the shelf break compared to the simulation with no meltwater. When meltwater is vertically distributed, there is an increase in baroclinic conversion at the shelf break associated with increased eddy kinetic energy. In addition, in the eastern Labrador Sea, the salinity is lower and the meltwater volume is greater when meltwater is vertically distributed. Therefore, the West Greenland Current is sensitive to how meltwater is added to the ocean with implications for the freshening of the Labrador Sea. Significance Statement Our goal is to understand how the flux of freshwater across the West Greenland continental slope into the Labrador Sea is modified by meltwater from the Greenland Ice Sheet. We compare the simulations of the ocean that capture key dynamics along the West Greenland continental slope that have no meltwater, meltwater added to the ocean surface, and meltwater distributed vertically to represent the mixing within fjords. When meltwater is added, the currents along the continental slope are faster, with the greatest increase when meltwater is vertically distributed. In that case, there is enhanced freshening of the Labrador Sea because modified density gradients generate more eddies. Proper representation of the vertical structure of meltwater is important for projecting the impact of freshwater on the subpolar North Atlantic.

58 GEOSCIENCES↗

NASA NTRS2006

Granular Contact Forces: Proof of "Self-Ergodicity" by Generalizing Boltzmann's Stosszahlansatz and H Theorem

Ergodicity is proved for granular contact forces. To obtain this proof from first principles, this paper generalizes Boltzmann's stosszahlansatz (molecular chaos) so that it maintains the necessary correlations and symmetries of granular packing ensembles. Then it formally counts granular contact force states and thereby defines the proper analog of Boltzmann's H functional. This functional is used to prove that (essentially) all static granular packings must exist at maximum entropy with respect to their contact forces. Therefore, the propagation of granular contact forces through a packing is a truly ergodic process in the Boltzmannian sense, or better, it is self-ergodic. Self-ergodicity refers to the non-dynamic, internal relationships that exist between the layer-by-layer and column-by-column subspaces contained within the phase space locus of any particular granular packing microstate. The generalized H Theorem also produces a recursion equation that may be solved numerically to obtain the density of single particle states and hence the distribution of granular contact forces corresponding to the condition of self-ergodicity. The predictions of the theory are overwhelmingly validated by comparison to empirical data from discrete element modeling.

Metzger, Philip T.↗

DOE OSTI2017

P-TYPE PLANET–PLANET SCATTERING: KEPLER CLOSE BINARY CONFIGURATIONS

A hydrodynamical simulation shows that a circumbinary planet will migrate inward to the edge of the disk cavity. If multiple planets form in a circumbinary disk, successive migration will lead to planet–planet scattering (PPS). PPS of Kepler -like circumbinary planets is discussed in this paper. The aim of this paper is to answer how PPS affects the formation of these planets. We find that a close binary has a significant influence on the scattering process. If PPS occurs near the unstable boundary of a binary, about 10% of the systems can be completely destroyed after PPS. In more than 90% of the systems, there is only one planet left. Unlike the eccentricity distribution produced by PPS in a single star system, the surviving planets generally have low eccentricities if PPS take place near the location of the currently found circumbinary planets. In addition, the ejected planets are generally the innermost of two initial planets. The above results depend on the initial positions of the two planets. If the initial positions of the planets are moved away from the binary, the evolution tends toward statistics similar to those around single stars. In this process, the competition between the planet–planet force and the planet-binary force makes the eccentricity distribution of surviving planets diverse. These new features of P-type PPS will deepen our understanding of the formation of these circumbinary planets.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1922

Notes on aerodynamic forces 1 : rectilinear motion

The study of the motion of perfect fluids is of paramount importance for the understanding of the chief phenomena occurring in the air surrounding an aircraft, and for the numerical determination of their effects. The author recently successfully employed some simple methods for the investigation of the flow of a perfect fluid that have never been mentioned in connection with aeronautical problems. These methods appeal particularly to the engineer who is untrained in performing laborious mathematical computations, as they do away with these and allow one to obtain many interesting results by the mere application of some general and well-known principles of mechanics. Discussed here are the kinetic energy of moving fluids, the momentum of a body in a perfect fluid, two dimensional flow, three dimensional flow, and the distribution of the transverse forces of very elongated surfaces of revolution.

Munk, Max M↗

DOE OSTI2019

Spacer Acquisition Rates Determine the Immunological Diversity of the Type II CRISPR-Cas Immune Response

CRISPR-Cas systems provide acquired immunity in prokaryotes. Upon infection, short sequences from the phage genome, known as spacers, are inserted between the CRISPR repeats. Spacers are transcribed into small RNA molecules that guide nucleases to their targets. The forces that shape the distribution of newly acquired spacers, which is observed to be uneven, are poorly understood. We studied the spacer patterns that arise after phage infection of Staphylococcus aureus harboring the Streptococcus pyogenes type II-A CRISPR-Cas system. We observed that spacer patterns are established early during the CRISPR-Cas immune response and correlate with spacer acquisition rates, but not with spacer targeting efficiency. The rate of spacer acquisition depended on sequence elements within the spacer, which in turn determined the abundance of different spacers within the adapted population. Finally, our results reveal how the two main forces of the CRISPR-Cas immune response, acquisition and targeting, affect the generation of immunological diversity.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2011

Several versions of the compensated compactness principle

The convergence of the product of a solenoidal vector w{sub {epsilon}} and a gradient {nabla}u{sub {epsilon}} in L{sup 1}({Omega}) (where {Omega} is a region in R{sup d}) is investigated in the case when the factors converge weakly in the spaces L{sup {gamma}({Omega})}{sup d} and L{sup {alpha}({Omega})}{sup d}, respectively, with 1/{gamma}+1/{alpha}>1, which means that the main assumption of the classical div-curl lemma fails. Nevertheless, the same convergence (in the sense of distributions in {Omega}) as in the framework of the div-curl lemma, survives under certain additional assumptions. The new versions of the compensated compactness principle proved in the paper can be used in homogenization and in the theory of G-convergence of monotone operators with non-standard coercivity and growth properties, for instance, some degenerate operators. Bibliography: 20 titles.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

The significant impact of aerosol vertical structure on lower atmosphere stability and its critical role in aerosol–planetary boundary layer (PBL) interactions

The aerosol–planetary boundary layer (PBL) interaction was proposed as an important mechanism to stabilize the atmosphere and exacerbate surface air pollution. Despite the tremendous progress made in understanding this process, its magnitude and significance still have large uncertainties and vary largely with aerosol distribution and meteorological conditions. In this study, we focus on the role of aerosol vertical distribution in thermodynamic stability and PBL development by jointly using micropulse lidar, sun photometer, and radiosonde measurements taken in Beijing. Despite the complexity of aerosol vertical distributions, cloud-free aerosol structures can be largely classified into three types: well-mixed, decreasing with height, and inverse structures. The aerosol–PBL relationship and diurnal cycles of the PBL height and PM 2.5 associated with these different aerosol vertical structures show distinct characteristics. The vertical distribution of aerosol radiative forcing differs drastically among the three types, with strong heating in the lower, middle, and upper PBL, respectively. Such a discrepancy in the heating rate affects the atmospheric buoyancy and stability differently in the three distinct aerosol structures. Absorbing aerosols have a weaker effect of stabilizing the lower atmosphere under the decreasing structure than under the inverse structure. As a result, the aerosol–PBL interaction can be strengthened by the inverse aerosol structure and can be potentially neutralized by the decreasing structure. Moreover, aerosols can both enhance and suppress PBL stability, leading to both positive and negative feedback loops. This study attempts to improve our understanding of the aerosol–PBL interaction, showing the importance of the observational constraint of aerosol vertical distribution for simulating this interaction and consequent feedbacks.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1991

Measurements of forces, moments, and pressures on a generic store separating from a box cavity at supersonic speeds

An experimental investigation was conducted to measure the forces, moments, and pressure distributions on the generic store separating from a rectangular box cavity contained in a flat plate surface at supersonic speeds. Pressure distributions inside the cavity and oil flow and vapor-screen photographs of the cavity flow field were also obtained. The measurements were obtained for the store separating from a flat plate surface, from two shallow cavities having length to depth ratios (L/h) of 16.778 and 12.073, and from a deep cavity having L/h = 6.730. Measurements for the shallow cavities were obtained both with and without rectangular doors attached to sides of the cavities. The tests were conducted at free stream Mach numbers of 1.69, 2.00 and 2.65 for a free stream Reynolds number per foot of 2 x 10(exp 6). Presented here are a discussion of the results, a complete tabulation of the pressure data, figures of both the pressure and force and moment data, and representative oil flow and vapor screen photographs.

Stallings, Robert L., Jr.↗

DOE OSTI2016

Unconventional spin distributions in thick Ni{sub 80}Fe{sub 20} nanodisks

We study the spin distributions in permalloy (Py: Ni{sub 80}Fe{sub 20}) nanodisks as a function of diameter D (300 nm ≤ D ≤ 1 μm) and thickness L (30 nm ≤ L ≤ 100 nm). We observed that beyond a certain thickness, for a fixed disk diameter, an unconventional spin topology precipitates which is marked by the presence of a divergence field within the magnetic vortex curl. The strength of this divergence changes anti-symmetrically from negative to positive—depending on the core polarity—along the axis of the cylindrical nanodisk. This is also accompanied by a skyrmion-like out-of-plane bending of the spin vectors farther away from the disk center. Additionally, the vortex core dilates significantly when compared to its typical size. This has been directly observed using magnetic force microscopy. We determined from the ferromagnetic resonance spectroscopy measurements that the unconventional topology in the thicker nanodisks gyrated at a frequency, which is significantly lower than what is predicted by a magnetic vortex based analytical model. Micromagnetic simulations involving dipolar and exchange interactions appear to satisfactorily reproduce the experimentally observed static and dynamic behaviors. Besides providing a physical example of an unconventional topology, these results can also aid the design of topologically protected memory elements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Development of an Amine Oxide Polyzwitterion Brush Martini Model with Polarizable Water and Ions

Abstract In order to accurately simulate the fouling process of proteins onto polyzwitterion brushes, models that accurately capture the hydration properties and chain conformations of such brushes must first be established. We developed a Martini coarse-grained (CG) model for amine oxide polyzwitterion (PNOMA) brushes, a promising class of antifouling materials, in polarizable water and ions by fitting to all-atom bond and angle distributions, monomer hydration free energy, monomer–monomer distance potential of mean force (PMF), and monomer–salt radial distribution functions (RDFs). Martini 2.2P was selected for compatibility with the established polarizable water and ion models. For comparison with PNOMA, we also constructed models for conventional sulfobetaine (PSBMA) and phosphorylcholine (PMPC) polyzwitterions and the polycation PMETAC using established nonbonded bead types from the literature and refitting bond and angle potentials. We simulated each polymer brush chemistry for varying grafting density and chain length, validating brush height scaling relations against experimental data. The CG models captured the relative hydration strengths among different polyzwitterion chemistries, and brush heights extrapolated to higher molecular weights are in agreement with experimental ellipsometry data. We find that chain swelling of the superhydrophilic PNOMA brushes lies between that of the traditional polyzwitterions PSBMA/PMPC and the polycation PMETAC. For PNOMA brushes in NaCl solution, simulated brush height decreases with salt concentration due to the selectively strong interactions between amine oxide and sodium ions.

Walker, Christopher C. [Oak Ridge National Laborat↗

NASA NTRS1985

The effect of power law body forces on a thermally-driven flow between concentric rotating spheres

A numerical study is conducted to determine the effect of power-law body forces on a thermally-driven axisymmetric flow field confined between concentric co-rotating spheres. This study is motivated by Spacelab geophysical fluid-flow experiments, which use an electrostatic force on a dielectric fluid to simulate gravity; this force exhibits a (1/r)sup 5 distribution. Meridional velocity is found to increase when the electrostatic body force is imposed, relative to when the body force is uniform. Correlation among flow fields with uniform, inverse-square, and inverse-quintic force fields is obtained using a modified Grashof number.

Macaraeg, M. G.↗

NASA NTRS1986

The effect of power-law body forces on a thermally driven flow between concentric rotating spheres

Macaraeg, M. G.↗