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At least 253 records · Page 14

Evolution and folding of repeat proteins

Repeat proteins are made with tandem copies of similar amino acid stretches that fold into elongated architectures. These proteins constitute excellent model systems to investigate how evolution relates to structure, folding, and function. Here, we propose a scheme to map evolutionary information at the sequence level to a coarse-grained model for repeat-protein folding and use it to investigate the folding of thousands of repeat proteins. We model the energetics by a combination of an inverse Potts-model scheme with an explicit mechanistic model of duplications and deletions of repeats to calculate the evolutionary parameters of the system at the single-residue level. These parameters are used to inform an Ising-like model that allows for the generation of folding curves, apparent domain emergence, and occupation of intermediate states that are highly compatible with experimental data in specific case studies. We analyzed the folding of thousands of natural Ankyrin repeat proteins and found that a multiplicity of folding mechanisms are possible. Fully cooperative all-or-none transitions are obtained for arrays with enough sequence-similar elements and strong interactions between them, while noncooperative element-by-element intermittent folding arose if the elements are dissimilar and the interactions between them are energetically weak. Additionally, we characterized nucleation-propagation and multidomain folding mechanisms. We show that the global stability and cooperativity of the repeating arrays can be predicted from simple sequence scores.

Ezequiel A. Galpern↗

Shock-Stationary Application of Pseudoshock Models During High-Amplitude Combustion-Driven Unsteadiness

The isolator pseudo-shock provides necessary compression within a dual-mode scramjet engine and buffers the engine system against unstart. Quasi-1D flux-conserved models are the state-of-the-art reduced-order model for optimization and online control of dual-mode scramjet engines. The stability and efficacy of this modeling approach is evaluated against data from a combustor-driven direct-connect experiment. The experiment exhibited strong combustor-driven unsteadiness that produced upstream propagating weak shocks into the isolator, interacting with the pseudo-shock. While this configuration resulted in unsteadiness that is atypical of standard operation, the experiment provided an opportunity to evaluate the modeling techniques in highly transient states. Such transients could occur during maneuvering or result from unexpected combustor events. A flexible quasi-1D formulation, the Fievet flux-conserved model is fit using Bayesian inference in the laboratory and shock-stationary reference frames. Model performance is analyzed using the Bayesian posteriors and model evaluations over the measured shock train speed range. It is concluded that to produce consistent isolator pressure profile estimates in this unsteady environment, the model must be implemented in a shock-stationary reference frame. Implementing this conclusion in model-based engine controllers may reduce needed unstart safety margins and increase maximum performance.

Bayesian↗

Pressure Balance at Mars and Solar Wind Interaction with the Martian Atmosphere

The strongest crustal fields are located in certain regions in the Southern hemisphere. In the Northern hemisphere, the crustal fields are rather weak and usually do not prevent direct interaction between the SW and the Martian ionosphere/atmosphere. Exceptions occur in the isolated mini-magnetospheres formed by the crustal anomalies. Electron density profiles of the ionosphere of Mars derived from radio occultation data obtained by the Radio Science Mars Global Surveyor (MGS) experiment have been compared with the crustal magnetic fields measured by the MGS Magnetometer/Electron Reflectometer (MAG/ER) experiment. A study of 523 electron density profiles obtained at latitudes from +67 deg. to +77 deg. has been conducted. The effective scale-height of the electron density for two altitude ranges, 145-165 km and 165-185 km, and the effective scale-height of the neutral atmosphere density in the vicinity of the ionization peak have been derived for each of the profiles studied. For the regions outside of the potential mini-magnetospheres, the thermal pressure of the ionospheric plasma for the altitude range 145-185 km has been estimated. In the high latitude ionosphere at Mars, the total pressure at altitudes 160 and 180 km has been mapped. The solar wind interaction with the ionosphere of Mars and origin of the sharp drop of the electron density at the altitudes 200-210 km will be discussed.

A M Krymskii↗

Sonic boom interaction with turbulence

A recently developed transonic small-disturbance model is used to analyze the interactions of random disturbances with a weak shock. The model equation has an extended form of the classic small-disturbance equation for unsteady transonic aerodynamics. It shows that diffraction effects, nonlinear steepening effects, focusing and caustic effects and random induced vorticity fluctuations interact simultaneously to determine the development of the shock wave in space and time and the pressure field behind it. A finite-difference algorithm to solve the mixed-type elliptic hyperbolic flows around the shock wave is presented. Numerical calculations of shock wave interactions with various deterministic vorticity and temperature disturbances result in complicate shock wave structures and describe peaked as well as rounded pressure signatures behind the shock front, as were recorded in experiments of sonic booms running through atmospheric turbulence.

Zvi Rusak↗

The nature of the solar wind interaction with CO2/CO-dominated comets

The nature of the interaction of the solar wind with the ionospheres (field-free ion cavities) of comets with CO or CO2 as their dominant volatile species is considered and compared with the solar wind interaction with H2O-diominated comets. Calculations of the heliocentric variation of scale lengths defined as the nuclear distance at which the mean free path for ion-neutral collisions becomes equal to the nuclear distance, and the ion and neutral stand-off distances are presented for different modes of energy addition, nuclear radii and ionization time scales. Results indicate that whereas little activity can be expected from H2O-dominated comets at distances beyond 3 AU, COand CO2-dominated comets can be expected to be quite prolific at such distances. In contrast to H2O-dominated comets characterized by weak shocks, CO/CO2-dominated comet solar wind interactions are found to produce strong bow shocks within a specific heliocentric distance for the isothermal case of a CO-dominated comet, and a weak shock outside of this distance. In the general case, two types of cometary ionosphere transitions are found: a transition from strong to weak bow shock and from a compressible (soft) to an incompressible (hard) ionosphere, and a transition from a soft to a hard ionosphere with the bow shock remaining weak at a heliocentric distance dependant on atmospheric optical depth, bolometric albedo, nuclear radius, latent heat of sublimation of nuclear material, ionization time scale and type of heat addition. It is pointed out that the behavior of Comet Humason can be explained by solar wind interactions with a CO- or CO2-dominated comet.

Houpis, H. L. F.↗

Propagation of cosmic rays in the Galaxy

The galactic model of cosmic ray confinement is assumed in an in-depth theoretical investigation of cosmic ray propagation in the Galaxy, with consideration also given to the interpretation of observed data. The necessary data concerning the interstellar medium are summarized in order to form a basis for the theoretical formulation of the propagation of cosmic rays, which are assumed to be in a state of equilibrium and homogeneously distributed in the residence volume. The interaction of cosmic rays with the attenuated gases, weak magnetic fields, and radiation fields of the interstellar medium is examined. Many of these interactions lead to the production of radiations ranging the entire electromagnetic spectrum. The possible roles played by cosmic rays in some aspects of galactic dynamics such as the hydrostatic equilibrium of interstellar gas, gravitational instability and formation of clouds, and heating of interstellar gas, are also studied.

Daniel, R. R.↗

Simulation of Blunt-Fin-Induced Shock-Wave and Turbulent Boundary-Layer Interaction

The Reynolds-averaged Navier-Stokes equations are solved numerically for supersonic flow over a blunt fin mounted on a flat plate. The fin shock causes the boundary layer to separate. which results in a complicated, three-dimensional shock-wave and boundary-layer interaction. The computed results are in good agreement with the mean static pressure measured on the fin and the flat plate. The main features, such as peak pressure on the fin leading edge and a double peak on the plate. are predicted well. The role of the horseshoe vortex is discussed. This vortex leads to the development of high-speed flow and, hence, low-pressure regions on the fin and the plate. Different thicknesses of the incoming boundary layer have been studied. Varying the thicknesses by an order of magnitude shows that the size of the horseshoe vortex and, therefore, the spatial extent of the interaction are dominated by inviscid flow and only weakly dependent on the Reynolds number. Colored graphics are used to show details of the interaction flow field.

Hung, Ching-Mao↗

Interaction of the sonic boom with atmospheric turbulence

Theoretical research was carried out to study the effect of free-stream turbulence on sonic boom pressure fields. A new transonic small-disturbance model to analyze the interactions of random disturbances with a weak shock was developed. The model equation has an extended form of the classic small-disturbance equation for unsteady transonic aerodynamics. An alternative approach shows that the pressure field may be described by an equation that has an extended form of the classic nonlinear acoustics equation that describes the propagation of sound beams with narrow angular spectrum. The model shows that diffraction effects, nonlinear steepening effects, focusing and caustic effects and random induced vorticity fluctuations interact simultaneously to determine the development of the shock wave in space and time and the pressure field behind it. A finite-difference algorithm to solve the mixed type elliptic-hyperbolic flows around the shock wave was also developed. Numerical calculations of shock wave interactions with various deterministic and random fluctuations will be presented in a future report.

Rusak, Zvi↗

Interaction of the sonic boom with atmospheric turbulence

Theoretical research has been carried out to study the effect of free-stream turbulence on sonic boom pressure fields. A new transonic small-disturbance model to analyze the interactions of random disturbances with a weak shock has been developed. The model equation has an extended form of the classic small-disturbance equation for unsteady transonic aerodynamics. An alternative approach shows that the pressure field may be described by an equation that has an extended form of the classic nonlinear acoustics equation that describes the propagation of sound beams with narrow angular spectrum. The model shows that diffraction effects, nonlinear steepening effects, focusing and caustic effects and random induced vorticity fluctuations interact simultaneously to determine the development of the shock wave in space and time and the pressure field behind it. A finite-difference algorithm to solve the mixed-type elliptic-hyperbolic flows around the shock wave has also been developed. Numerical calculations of shock wave interactions with various deterministic and random fluctuations will be presented in a future report.

Rusak, Z.↗

Radiative and Physiological Effects of Increased CO2: How Does This Interaction Affect Climate?

Several climate models indicate that in a 2xCO2 environment, temperature and precipitation would increase and runoff would increase faster than precipitation. These models, however, did not allow the vegetation to increase its leaf density as a response to the physiological effects of increased CO2 and consequent changes in climate. Other assessments included these interactions but did not account for the vegetation downregulation to reduce plant's photosynthetic activity and as such resulted in a weak vegetation negative response. When we combine these interactions in climate simulations with 2xCO2, the associated increase in precipitation contributes primarily to increase evapotranspiration rather than surface runoff, consistent with observations, and results in an additional cooling effect not fully accounted for in previous 2xCO2 simulations. By accelerating the water cycle, this feedback slows but does not alleviate the projected warming, reducing the land surface warming by 0.6 C. Compared to previous studies, these results imply that long term negative feedback from CO2-induced increases in vegetation density could reduce temperature following a stabilization of CO2 concentration.

Bounoua, Lahouari↗

Quantifying the Negative Feedback of Vegetation to Greenhouse Warming: A Modeling Approach

Several climate models indicate that in a 2 x CO2 environment, temperature and precipitation would increase and runoff would increase faster than precipitation. These models, however, did not allow the vegetation to increase its leaf density as a response to the physiological effects of increased CO2 and consequent changes in climate. Other assessments included these interactions but did not account for the vegetation down-regulation to reduce plant's photosynthetic activity and as such resulted in a weak vegetation negative response. When we combine these interactions in climate simulations with 2 x CO2, the associated increase in precipitation contributes primarily to increase evapotranspiration rather than surface runoff, consistent with observations, and results in an additional cooling effect not fully accounted for in previous simulations with elevated CO2. By accelerating the water cycle, this feedback slows but does not alleviate the projected warming, reducing the land surface warming by 0.6 C. Compared to previous studies, these results imply that long term negative feedback from CO2-induced increases in vegetation density could reduce temperature following a stabilization of CO2 concentration.

Bounous, L.↗

Self-sustained oscillations of a shock wave interacting with a boundary layer on a supercritical airfoil

A theory is proposed of the self-sustaining oscillations of a weak shock on an airfoil in steady, transonic flow. The interaction of the shock with the boundary layer on the airfoil produces displacement thickness fluctuations which convect downstream and generate sound by interaction with the trailing edge. A feedback loop is established when this sound impinges on the shock wave, resulting in the production of further fluctuations in the displacement thickness. The details are worked out for an idealized mean boundary layer velocity profile, but strong support for the basic hypotheses of the theory is provided by a comparison with recent experiments involving the generation of acoustic "tone bursts' by a supercritical airfoil section.

Ventres, C. S.↗

Self-sustained oscillations of a shock wave interacting with a boundary layer on a supercritical airfoil

A theory is proposed of the self-sustaining oscillations of a weak shock on an airfoi in steady, transonic flow. The interaction of the shock with the boundary layer on the airfoil produces displacement thickness fluctuations which convect downstream and generate sound by interaction with the trailing edge. A feedback loop is established when this sound impinges on the shock wave, resulting in the production of further fluctuations in the displacement thickness. The details are worked out for an idealized mean boundary layer velocity profile, but strong support for the basic hypotheses of the theory is provided by a comparison with recent experiments involving the generation of acoustic 'tone bursts' by a supercritical airfoil section.

Ventres, C. S.↗

A model for the radio brightness of the supernova remnant 1987A

The recently observed rise in radio flux from SN1987A is earlier than predicted in models of the interaction with the observed line-emitting gas. The observed size of the radio source is roughly consistent with the expected position of the SN shock wave and the position of the termination shock of the blue supergiant progenitor wind. The radio increase is attributed to the interaction of the SN shock with this density jump. The required efficiency of electron acceleration and magnetic field amplification is larger than usually occurs in SNe and SNR. Possible reasons for the enhanced radio emission are particle acceleration by the weak reflected shock that travels through the interaction region, and the action of the Richtmyer-Meshkov instability near the initial termination-shock density jump. The action of these mechanisms is time-limited; the prediction of this model is that the radio flux should begin to decline within the next year.

Chevalier, Roger A.↗

A multiple-time-scale turbulence model based on variable partitioning of turbulent kinetic energy spectrum

A multiple-time-scale turbulence model of a single point closure and a simplified split-spectrum method is presented. In the model, the effect of the ratio of the production rate to the dissipation rate on eddy viscosity is modeled by use of the multiple-time-scales and a variable partitioning of the turbulent kinetic energy spectrum. The concept of a variable partitioning of the turbulent kinetic energy spectrum and the rest of the model details are based on the previously reported algebraic stress turbulence model. Example problems considered include: a fully developed channel flow, a plane jet exhausting into a moving stream, a wall jet flow, and a weakly coupled wake-boundary layer interaction flow. The computational results compared favorably with those obtained by using the algebraic stress turbulence model as well as experimental data. The present turbulence model, as well as the algebraic stress turbulence model, yielded significantly improved computational results for the complex turbulent boundary layer flows, such as the wall jet flow and the wake boundary layer interaction flow, compared with available computational results obtained by using the standard kappa-epsilon turbulence model.

Kim, S.-W.↗

A multiple-time-scale turbulence model based on variable partitioning of the turbulent kinetic energy spectrum

A multiple-time-scale turbulence model of a single point closure and a simplified split-spectrum method is presented. In the model, the effect of the ratio of the production rate to the dissipation rate on eddy viscosity is modeled by use of the multiple-time-scales and a variable partitioning of the turbulent kinetic energy spectrum. The concept of a variable partitioning of the turbulent kinetic energy spectrum and the rest of the model details are based on the previously reported algebraic stress turbulence model. Example problems considered include: a fully developed channel flow, a plane jet exhausting into a moving stream, a wall jet flow, and a weakly coupled wake-boundary layer interaction flow. The computational results compared favorably with those obtained by using the algebraic stress turbulence model as well as experimental data. The present turbulence model, as well as the algebraic stress turbulence model, yielded significantly improved computational results for the complex turbulent boundary layer flows, such as the wall jet flow and the wake boundary layer interaction flow, compared with available computational results obtained by using the standard kappa-epsilon turbulence model.

Kim, S.-W.↗

High-Order Polynomial Expansions (HOPE) for flux-vector splitting

The Van Leer flux splitting is known to produce excessive numerical dissipation for Navier-Stokes calculations. Researchers attempt to remedy this deficiency by introducing a higher order polynomial expansion (HOPE) for the mass flux. In addition to Van Leer's splitting, a term is introduced so that the mass diffusion error vanishes at M equals 0. Several splittings for pressure are proposed and examined. The effectiveness of the HOPE scheme is illustrated for 1-D hypersonic conical viscous flow and 2-D supersonic shock-wave boundary layer interactions. Also, the authors give the weakness of the scheme and suggest areas for further investigation.

Liou, Meng-Sing↗