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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS2013

Conductance of Ion Channels - Theory vs. Experiment

Transmembrane ion channels mediate a number of essential physiological processes in a cell ranging from regulating osmotic pressure to transmission of neural signals. Kinetics and selectivity of ion transport is of critical importance to a cell and, not surprisingly, it is a subject of numerous experimental and theoretical studies. In this presentation we will analyze in detail computer simulations of two simple channels from fungi - antiamoebin and trichotoxin. Each of these channels is made of an alpha-helical bundle of small, nongenomically synthesized peptides containing a number of rare amino acids and exhibits strong antimicrobial activity. We will focus on calculating ionic conductance defined as the ratio of ionic current through the channel to applied voltage. From molecular dynamics simulations, conductance can be calculated in at least two ways, each involving different approximations. Specifically, the current, given as the number of charges transferred through the channel per unit of time, can be obtained from the number of events in which ions cross the channel during the simulation. This method works well for large currents (high conductance values and/or applied voltages). If the number of crossing events is small, reliable estimates of current are difficult to achieve. Alternatively, conductance can be estimated assuming that ion transport can be well approximated as diffusion in the external potential given by the free energy profile. Then, the current can be calculated by solving the one-dimensional diffusion equation in this external potential and applied voltage (the generalized Nernst-Planck equation). To do so three ingredients are needed: the free energy profile, the position-dependent diffusion coefficient and the diffusive flux of ions into the channel. All these quantities can be obtained from molecular dynamics simulations. An important advantage of this method is that it can be used equally well to estimating large and small currents. In addition, once the free energy profile becomes available the full current-voltage dependence can be readily obtained. For both channels we carried out calculations using both approaches. We also tested the main assumptions underlying the diffusive model, such as uncorrelated nature of individual crossing events and Fickian diffusion. The accuracy and consistency of different methods will be discussed. Finally we will discuss how comparisons between calculated and measured ionic conductance and selectivity of transport can be used for determining structural models of the channels.

Pohorille, Andrew↗
NASA NTRS1994

Radial diffusion models of energetic electrons and Jupiter's synchrotron radiation. 2: Time variability

We used a radial diffusion code for energetic electrons in Jupiter's magnetosphere to investigate variations in Jupiter's radio emission due to changes in the electron phase space density at L shells between 6 and 50, and due to changes in the radial diffusion parameters. We suggest that the observed variations in Jupiter's radio emission are likely caused by changes in the electron phase space density at some boundary L(sub 1) is greater than 6, if the primary mode of transport of energetic electrons is radial diffusion driven by fluctuating electric and/or magnetic fields induced by upper atmospheric turbulence. We noticed an excellent empirical correlation, both in phase and relative amplitude, between changes in the solar wind ram pressure and Jupiter's synchrotron radiation if the electron phase space density at the boundary L(sub 1) (L(sub 1) is approximately equal to 20-50) varies linearly with the square root of the solar wind ram pressure, f is approximately (N(sub s)nu(exp 2 sub s))(exp 1/2). The calculations were carried out with a diffusion coefficient D(sub LL) = D(sub n)L(exp n) with n = 3. The diffusion coefficient which best fit the observed variations in Jupiter's synchrotron radiation D(sub 3) = 1.3 +/- 0.2 x 10(exp -9)/s is approximately 0.041/yr, which corresponds to a lagtime of approximately 2 years. We further show that the observed short term (days-weeks) variations in Jupiter's radio emission cannot be explained adequately when radial diffusion is taken into account.

De Pater, Imke↗
NASA NTRS1972

High energy proton model for the inner radiation belt.

Reconsideration of inner radiation belt processes and proton theories. The ability of trapped particles to diffuse across magnetic shells is shown radically to alter the view of magnetospheric processes and to call for such a reconsideration. Inner belt calculations incorporating radial diffusion processes are performed in a manner parametrizing the radial diffusion coefficient. The latter is then varied so as to obtain agreement with experiment. The diffusion coefficient thus obtained is compared with coefficients derived by other means.

Walt, M.↗
NASA NTRS1995

Kinematic models of supergranular diffusion on the Sun

We develop kinematic models of diffusion generated by supergranulation at the solar surface. These models use current observations for the size, horizontal velocity, and lifetime of supergranules. Because there is no observational description of the appearance and disappearance of supergranules, we investigate models using several plausible evolution processes, including the effect of different lifetime distribution functions for the cells. The results are quite insensitive to the methods chosen to replace old supergranules, the distribution of cell lifetimes, and even the cell lifetime itself, for mean lifetimes between 15 to 30 hr. Calculated diffusion coefficients range between 500 and 700 sq km/s, in agreement with the best fit diffusion coefficients used by Sheeley and his collaborators to model the large-scale distribution of magnetic fields over the solar surface. However, our models do not explain the field distribution in plage, and they predict that virtually all the strong field in quiet Sun exists in relatively isolated clumps. We suggest possible mechanisms for the creation of plage and the bright network seen in quiet Sun.

Simon, G. W.↗
NASA NTRS1981

Centrifugally driven diffusion of Iogenic plasma

The plasma distribution around Io as measured by Voyager 1 displays an asymmetric discontinuity at Io's orbit that has been suggested to be the signature of centrifugally driven interchange diffusion fed by plasma derived from Io. This hypothesis is explored further and found to be valid. The particular form for the diffusion coefficient appropriate to centrifugally driven turbulence is derived. The nonlinear character of this kind of diffusion is thereby made explicit. Solutions to the nonlinear, time-independent and linearized, time-dependent diffusion equations are given. These display a markedly conservative behavior. The nonlinear, steady state solutions are identical in form to the solutions of the previously studied equation of linear, atmospherically driven diffusion. The linearized, time-dependent solutions exhibit a negative feed-back quality that buffers the response of the density to changes in the source strength. Estimates of the source strength, the diffusion coefficient, and the signal propagation speed are also given.

Siscoe, G. L.↗
NASA NTRS1992

Distribution of particles and fields in turbulent media

It is shown that fluctuations of kinetic coefficients can lead to the development of an instability that tends to increase the gradients of the distribution of particles and fields in turbulent media. It is found that high rank correlation functions of the cosmic medium turbulent velocity must be taken into account in most real cases. Turbulence in compressible media can lead to a decrease of the CR diffusion coefficient. In some cases the diffusion coefficient may become negative, which implies the development of an instability with respect to the formation of clusters of particles. A similar instability may exist for fields in turbulent media and in media with fluctuation parameters. It may lead to the bunching of magnetic field lines and to the fractal structure of waves propagating in the media.

Dolginov, A. Z.↗
NASA NTRS1995

Energization in regions of CIRs unconnected to shocks are probably not the result of cross-field transport

Corotating energetic ion populations (CEIPs) associated with the forward and reverse shocks of corotating interaction regions (CIRs) are observed in CIRs at places where models say are magnetically unconnected to either shock. Such disconnections between CEIPs and shocks are common and have been documented with data from Pioneers 10 and 11 and confirmed with data from Ulysses. They pose a problem for models that account for these CEIPs in terms of ion energization at the shocks followed by ion propagation along field lines. Two possible resolutions to this problem have been suggested: diffusion of the ions across field lines and extension of the ion energization process to regions beyond the shock waves. Here we quantitatively examine the first of these possibilities. We give the Green's function solution to the convection-diffusion equation applied to idealized CIR geometry, with a source at the reverse shock -- the main producer of CEIPs. Two kinds of diffusion are considered: resonant diffusion and stochastic field line diffusion. We find that for resonant diffusion the computed ratio is many orders of magnitudes below the observed ratio. For stochastic field line diffusion, the computed ratio approximately equals the observed ratio if a diffusion coefficient appropriate to the free solar wind is used. It is several orders of magnitude below the observed ratio, however, if a diffusion coefficient appropriate to CIRs is used. We conclude that cross-field diffusion probably does not account for the presence of energetic ions in regions of CIRs that are magnetically unconnected to its shock waves. We suggest that the alternative possibility -- the energetic ions in regions magnetically unconnected to shocks result from an acceleration process that is independent of shocks -- be pursued to the point where quantitative tests can be performed.

Intriligator, Devrie S.↗
NASA NTRS1973

Theoretical model of vertical distributions of CO and CH4 in the mesosphere and upper stratosphere.

Carbon compounds (CO and CO2) and methane are added to an existing computer program (Shimazaki and Laird, 1970, 1972), which calculates diurnal variations in density distributions of pure oxygen compounds, hydrogen compounds, and nitrogen compounds. For the present model calculations, the original program was modified to calculate the steady-state profiles for all constituents, and then these solutions were used as the initial condition for solving the time-dependent equations. The effects of chemical reactions and vertical eddy diffusion transport on the CH4 and CO concentrations above 40 km, where one-dimensional treatment may not be too inappropriate, are discussed. Some of the 15 constituents included in the computer program interact with CO and CH4 chemically, and CH4 is more sensitive to the eddy diffusion coefficient than any other constituent. Therefore it is easier to determine the most appropriate profile of the eddy diffusion coefficient by comparing the model profile with the observations for CH4.

Shimazaki, T.↗
NASA NTRS1982

Eddy mixing coefficient on Saturn

Data on the composition, thermal structure, and Lyman-alpha dayglow of Saturn, when analyzed in conjunction with photochemical models of the hydrocarbons and the atomic hydrogen production, yield the homopause value of the eddy diffusion coefficient to be approximately 100 million/sq cm per sec. The equatorial value of the eddy diffusion coefficient at the homopause of Saturn is thus found to be approximately 100 times greater than on Jupiter. The mesosphere (and presumably, troposphere) of Saturn appears to be considerably more turbulent than the upper atmosphere of Jupiter.

Atreya, S. K.↗
NASA NTRS1994

Radial diffusion of relativistic electrons in Neptune's magnetosphere

Measurements of greater than or = 1 MeV electrons in Neptune's magnetosphere from L approximately = 4 to 14 are well represented by solutions of a model radial diffusion equation that includes losses due to absorption by the satellite Proteus. The model provides estimates of the radial diffusion coefficient, which is 5 x 10(exp -8) (L/5)(exp 8)/s, and the outer boundary energy spectrum, which is an exponential with an e-folding energy of 0.1 MeV. The diffusion coefficient is consistent with theoretical estimates based on the assumption that diffusion is driven by atmospheric neutral winds.

Selesnick, R. S.↗
NASA NTRS1992

Effect of the geomagnetic field on the diffusion of meteor trains

A solution to the problem of the diffusion of a meteor train in the geomagnetic field from an initial line density may be written in closed form in terms of effective diffusion coefficients depending on direction, enabling detailed calculations across the entire range of angle of train to field and relevant heights. While the effective diffusion coefficient in the plane of train and field then remains close to the zero field ambipolar value right up to 90 deg, the effective coefficient in the direction of the normal to plane of train and field drops steadily to its theta = 0 value at theta = 90 deg. At 95 km this corresponds to a change of almost 5 km, in 'diffusion height', that is, the height of an underdense meteor calculated on the basis of the exponential decay of its radar echo. We have estimated the consequent changes in the expected distribution of diffusion heights for various orientations of radar antenna and find the dependence on azimuth is very marked. The effect of the field is relatively minor for a south pointing beam but very strong if the beam is pointing north.

Jones, William↗
NASA NTRS1989

The effect of an interaction of magnetic flux and supergranulation on the decay of magnetic plages

This paper studies how the properties of large-scale convection affect the decay of plages. The plage decay, caused by the random-walk dispersion of flux tubes, is suggested to be severely affected by differences between the mean size of cellular openings within and around plages. The smaller cell size within a plage largely explains the smaller diffusion coefficient within plages as compared to that of the surrounding regions. The semipermeability of the plage periphery, together with the dependence of the diffusion coefficient on the flux-tube density, can explain the observed slow decay of plages (predicting a typical life time of about a month for a medium-sized plage), the existence of a well-defined plage periphery, and the observed characteristic mean magnetic flux density of about 100 G. One effect of the slowed decay of the plage by the semipermeability of the plage periphery is the increase of the fraction of the magnetic flux that can cancel with flux of the opposite polarity along the neutral line to as much as 80 percent as compared to at most 50 percent in the case of nonuniform diffusion. This may explain why only a small fraction of the magnetic flux is observed to escape from the plage into the surrounding network.

Schrijver, C. J.↗
NASA NTRS1981

A study of atmospheric diffusion from the LANDSAT imagery

LANDSAT multispectral scanner data of the smoke plumes which originated in eastern Cabo Frio, Brazil and crossed over into the Atlantic Ocean, are analyzed to illustrate how high resolution LANDSAT imagery can aid meteorologists in evaluating specific air pollution events. The eleven LANDSAT images selected are for different months and years. The results show that diffusion is governed primarily by water and air temperature differences. With colder water, low level air is very stable and the vertical diffusion is minimal; but water warmer than the air induces vigorous diffusion. The applicability of three empirical methods for determining the horizontal eddy diffusivity coefficient in the Gaussian plume formula was evaluated with the estimated standard deviation of the crosswind distribution of material in the plume from the LANDSAT imagery. The vertical diffusion coefficient in stable conditions is estimated using Weinstock's formulation. These results form a data base for use in the development and validation of meso scale atmospheric diffusion models.

Dejesusparada, N.↗
NASA NTRS1974

The phase lag effect in the cosmic ray modulation during solar cycle twenty

In this analysis of the phase-lag effect we utilize more extensive primary proton and helium spectral data from balloon studies of the University of New Hampshire group, from the Pioneer 8 and 9 spacecraft, and from ground-level monitors during 1965-72. If the rigidity dependence of the diffusion coefficient at earth did not change from 1968-72, then the data imply the nonseparability of the radial and rigidity parts of the diffusion coefficient.

Lockwood, J. A.↗
NASA NTRS1983

The Mimas ghost revisited - An analysis of the electron flux and electron microsignatures observed in the vicinity of Mimas at Saturn

An analysis of the electron-absorption signature observed by the cosmic-ray system on Voyager 2 near the orbit of Mimas is presented. It is found that these observations cannot be explained as the absorption signature of Mimas. By combining Pioneer 11 and Voyager 2 measurements of the electron flux at Mimas's orbit (L = 3.1), an electron spectrum is found in which most of the flux above about 100 keV is concentrated near 1 to 3 MeV. This spectral form is qualitatively consistent with the bandpass filter model of Van Allen et al. (1980). The expected Mimas absorption signature is calculated from this spectrum neglecting radial diffusion. Since no Mimas absorption signature was observed in the inbound Voyager 2 data, a lower limit on the diffusion coefficient for MeV electrons at L = 3.1 of D greater than 10 to the -8th sq Saturn radii/sec is obtained. With a diffusion coefficient this large, both the Voyager 2 and the Pioneer 11 small-scale electron-absorption-signature observations in Mimas's orbit are enigmatic. Thus the mechanism for producing these signatures is referred to as the Mimas ghost. A cloud of material in orbit with Mimas may account for the observed electron signature if the cloud is at least 1-percent opaque to electrons across a region extending over a few hundred kilometers.

Chenette, D. L.↗
NASA NTRS1978

The effect of increased carbon dioxide concentrations on stratospheric ozone

Consideration is given to the influence on ozone of an increased carbon dioxide concentration, for which a measurable growth has been observed in the recent past. Increased carbon dioxide can indirectly affect ozone by perturbing atmospheric temperatures, which will alter ozone production, whose rate displays a fairly strong temperature dependence. This paper presents one-dimensional model results for the steady state ozone behavior when the CO2 concentration is twice its ambient level; the results account for coupling between chemistry and temperature. When the CO2 level doubled, the total ozone burden increased in relation to the ambient burden by 1.2-2.5%, depending on the vertical diffusion coefficient used. Above 30 km, ozone concentrations were larger than the ambient values, a maximum increase of 16% being reached at 43 km. In this region the relative variations were insensitive to the choice of diffusion coefficient. Below 30 km, ozone concentrations were smaller than the unperturbed values and were sensitive to the vertical diffusion profile in this region (10-30 km).

Boughner, R. E.↗
NASA NTRS1967

Self-diffusion in simple fluids.

Self-diffusion coefficients of simple liquids as predicted by Rice-Allnatt theory, noting friction coefficient and correlation function

CORRELATION FUNCTION↗