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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 1,585 records · Page 88
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Systematic coarse-grained modeling of complexation between small interfering RNA and polycations

All-atom molecular dynamics simulations can provide insight into the properties of polymeric gene-delivery carriers by elucidating their interactions and detailed binding patterns with nucleic acids. However, to explore nanoparticle formation through complexation of these polymers and nucleic acids and study their behavior at experimentally relevant time and length scales, a reliable coarse-grained model is needed. Here, we systematically develop such a model for the complexation of small interfering RNA (siRNA) and grafted polyethyleneimine copolymers, a promising candidate for siRNA delivery. We compare the predictions of this model with all-atom simulations and demonstrate that it is capable of reproducing detailed binding patterns, charge characteristics, and water release kinetics. Since the coarse-grained model accelerates the simulations by one to two orders of magnitude, it will make it possible to quantitatively investigate nanoparticle formation involving multiple siRNA molecules and cationic copolymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Influence of screening on longitudinal-optical phonon scattering in quantum cascade lasers

We theoretically investigate the influence of screening on electron-longitudinal optical phonon scattering in quantum cascade lasers. By employing ensemble Monte Carlo simulations, an advanced screening model based on the random-phase approximation is compared to the more elementary Thomas-Fermi and Debye models. For mid-infrared structures, and to a lesser extent also for terahertz designs, the inclusion of screening is shown to affect the simulated current and optical output power. Furthermore, it is demonstrated that by using the electron temperature rather than the lattice temperature, the Debye model can be significantly improved.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A scheme for reducing deceleration-phase Rayleigh–Taylor growth in inertial confinement fusion implosions

It is demonstrated that the growth of acceleration-phase instabilities in inertial confinement fusion implosions can be controlled, especially in the high-foot implosions [O. A. Hurricane et al., Phys. Plasmas 21, 056314 (2014)] on the National Ignition Facility. However, the excessive growth of the deceleration-phase instabilities can still destroy the hot spot ignition. A scheme is proposed to retard the deceleration-phase Rayleigh–Taylor instability growth by shock collision near the waist of the inner shell surface. Two-dimensional radiation hydrodynamic simulations confirm the improved deceleration-phase hot spot stability properties without sacrificing the fuel compression.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Monte Carlo simulation of simultaneous radiation detection in the hybrid tomography system ClearPET-XPAD3/CT

Using the Geant4 based simulation framework SciFW1, a detailed simulation was performed for a detector array in the hybrid tomography prototype for small animals called ClearPET / XPAD, which was built in the Centre de Physique des Particules de Marseille. The detector system consists of an array of phoswich scintillation detectors: LSO (Lutetium Oxy-ortosilicate doped with cerium Lu{sub 2}SiO{sub 5}:Ce) and LuYAP (Lutetium Ortoaluminate of Yttrium doped with cerium Lu{sub 0.7}Y{sub 0.3}AlO{sub 3}:Ce) for Positron Emission Tomography (PET) and hybrid pixel detector XPAD for Computed Tomography (CT). Simultaneous acquisition of deposited energy and the corresponding time - position for each recorded event were analyzed, independently, for both detectors. interference between detection modules for PET and CT. Information about amount of radiation reaching each phoswich crystal and XPAD detector using a phantom in order to study the effectiveness by radiation attenuation and influence the positioning of the radioactive source {sup 22}Na was obtained. The simulation proposed will improve distribution of detectors rings and interference values will be taken into account in the new versions of detectors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

The ion polytropic coefficient in a collisionless sheath containing hot ions

The fluid approach has been widely used to study plasma sheath dynamics. For a sheath containing hot ions whose temperature is greater than the electron's, how to truncate the fluid hierarchy chain equations while retaining to the fullest extent of the kinetic effects is always a difficult problem. In this paper, a one-dimensional, collisionless sheath containing hot ions is studied via particle-in-cell simulations. By analyzing the ion energy equation and taking the kinetic effects into account, we have shown that the ion polytropic coefficient in the vicinity of the sheath edge is approximately constant so that the state equation with the modified polytropic coefficient can be used to close the hierarchy chain of the ion fluid equations. The value of the polytropic coefficient strongly depends on the hot ion temperature and its concentration in the plasma. The semi-analytical model is given to interpret the simulation results. As an application, the kinetic effects on the ion saturation current density in the probe theory are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

HELIOSEISMOLOGY OF A REALISTIC MAGNETOCONVECTIVE SUNSPOT SIMULATION

We compare helioseismic travel-time shifts measured from a realistic magnetoconvective sunspot simulation using both helioseismic holography and time-distance helioseismology, and measured from real sunspots observed with the Helioseismic and Magnetic Imager instrument on board the Solar Dynamics Observatory and the Michelson Doppler Imager instrument on board the Solar and Heliospheric Observatory. We find remarkable similarities in the travel-time shifts measured between the methodologies applied and between the simulated and real sunspots. Forward modeling of the travel-time shifts using either Born or ray approximation kernels and the sound-speed perturbations present in the simulation indicates major disagreements with the measured travel-time shifts. These findings do not substantially change with the application of a correction for the reduction of wave amplitudes in the simulated and real sunspots. Overall, our findings demonstrate the need for new methods for inferring the subsurface structure of sunspots through helioseismic inversions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

A SEARCH FOR SEPARATED FRINGE PACKET BINARIES USING THE CHARA ARRAY

We present the results of a comprehensive search for new companions to nearby solar-type stars using the separated fringe packet (SFP) technique at the Center for High Angular Resolution Astronomy (CHARA) Array. Our search included 636 observations of 186 stars, searching for companions with separations of approximately 8-80 mas and moderate brightness ratios ({Delta}K {approx}< 1.5). This survey was undertaken to support a comprehensive assessment of companions to solar-type stars within 25 pc. We detected separated fringe companions to two stars (HD 3196 and 79096) and found faint companion signatures to two more stars (HD 98231 and 137763). All of these companions are previously known by spectroscopic methods, and three of them have speckle interferometric observations as well. The faint companion seen to HD 98231 represents the first visual detection of this spectroscopic companion. Our null detection for new companions implies that the presumed gap between spectroscopic and visual techniques has largely been filled for nearby solar-type stars, thanks to systematic radial-velocity observations over multiple decades and a thorough coverage using visual techniques, especially speckle interferometric observations. We also generate simulated fringe packets to derive detection limits for SFP binaries using the CHARA Array.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

THE AXISYMMETRIC RING GALAXIES: AM 0053-353, AM 0147-350, AM 1133-245, AM 1413-243, AM 2302-322, ARP 318, AND HEAD-ON PENETRATIONS

Axisymmetric ring systems can be identified from the new catalog of collisional ring galaxies by Madore et al. in 2009. These are O-type-like collisional ring galaxies. Head-on collisions by dwarf galaxies moving along the symmetric axis were performed through N-body simulations to address their origins. It was found that the simulations with smaller initial relative velocities between two galaxies, or in the cases with heavier dwarf galaxies, could produce rings with higher density contrasts. There is more than one generation of rings in one collision and the lifetime of any generation of rings is about one dynamical time. It was concluded that head-on penetrations could explain these O-type-like ring galaxies identified from the new catalog by Madore et al. in 2009, and the simulated rings resembling the observational O-type-like collisional rings are those at the early stage of one of the ring generations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

ON THE APPARENT NARROWING OF RADIO RECOMBINATION LINES AT HIGH PRINCIPAL QUANTUM NUMBERS

We critically analyze the Bell et al. findings on 'anomalous' widths of high-order hydrogen radio recombination lines in the Orion Nebula at 6 GHz. We review their method of modified frequency switching and show that the way this method is used for large {Delta}n is not optimal and can lead to misinterpretation of measured spectral line parameters. Using a model of the Orion Nebula, conventional broadening theory, and Monte Carlo simulation, we determine a transition zone n = 224, ..., 241 ({Delta}n = 11, ..., 14), where measurement errors grow quickly with n and become comparable with the measurement values themselves. When system noise and spectrum channelization are accounted for, our simulation predicts 'processed' line narrowing in the transition zone similar to that reported by Bell et al. We find good agreement between our simulation results and their findings, both in line temperatures and widths. We conclude, therefore, that Bell et al.'s findings do not indicate a need to revise Stark broadening theory.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

WAVES AS THE SOURCE OF APPARENT TWISTING MOTIONS IN SUNSPOT PENUMBRAE

The motion of dark striations across bright filaments in a sunspot penumbra has become an important new diagnostic of convective gas flows in penumbral filaments. The nature of these striations has, however, remained unclear. Here, we present an analysis of small-scale motions in penumbral filaments in both simulations and observations. The simulations, when viewed from above, show fine structure with dark lanes running outward from the dark core of the penumbral filaments. The dark lanes either occur preferentially on one side or alternate between both sides of the filament. We identify this fine structure with transverse (kink) oscillations of the filament, corresponding to a sideways swaying of the filament. These oscillations have periods in the range of 5-7 minutes and propagate outward and downward along the filament. Similar features are found in observed G-band intensity time series of penumbral filaments in a sunspot located near disk center obtained by the Broadband Filter Imager on board the Hinode. We also find that some filaments show dark striations moving to both sides of the filaments. Based on the agreement between simulations and observations we conclude that the motions of these striations are caused by transverse oscillations of the underlying bright filaments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

TWO-DIMENSIONAL RADIATIVE MAGNETOHYDRODYNAMIC SIMULATIONS OF THE IMPORTANCE OF PARTIAL IONIZATION IN THE CHROMOSPHERE

The bulk of the solar chromosphere is weakly ionized and interactions between ionized particles and neutral particles likely have significant consequences for the thermodynamics of the chromospheric plasma. We investigate the importance of introducing neutral particles into the MHD equations using numerical 2.5D radiative MHD simulations obtained with the Bifrost code. The models span the solar atmosphere from the upper layers of the convection zone to the low corona, and solve the full MHD equations with non-gray and non-LTE radiative transfer, and thermal conduction along the magnetic field. The effects of partial ionization are implemented using the generalized Ohm's law, i.e., we consider the effects of the Hall term and ambipolar diffusion in the induction equation. The approximations required in going from three fluids to the generalized Ohm's law are tested in our simulations. The Ohmic diffusion, Hall term, and ambipolar diffusion show strong variations in the chromosphere. These strong variations of the various magnetic diffusivities are absent or significantly underestimated when, as has been common for these types of studies, using the semi-empirical VAL-C model as a basis for estimates. In addition, we find that differences in estimating the magnitude of ambipolar diffusion arise depending on which method is used to calculate the ion-neutral collision frequency. These differences cause uncertainties in the different magnetic diffusivity terms. In the chromosphere, we find that the ambipolar diffusion is of the same order of magnitude or even larger than the numerical diffusion used to stabilize our code. As a consequence, ambipolar diffusion produces a strong impact on the modeled atmosphere. Perhaps more importantly, it suggests that at least in the chromospheric domain, self-consistent simulations of the solar atmosphere driven by magnetoconvection can accurately describe the impact of the dominant form of resistivity, i.e., ambipolar diffusion. This suggests that such simulations may be more realistic in their approach to the lower solar atmosphere (which directly drives the coronal volume) than previously assumed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

CONVECTION AND DIFFERENTIAL ROTATION IN F-TYPE STARS

Differential rotation is a common feature of main-sequence spectral F-type stars. In seeking to make contact with observations and to provide a self-consistent picture of how differential rotation is achieved in the interiors of these stars, we use the three-dimensional anelastic spherical harmonic (ASH) code to simulate global-scale turbulent flows in 1.2 and 1.3 M{sub Sun} F-type stars at varying rotation rates. The simulations are carried out in spherical shells that encompass most of the convection zone and a portion of the stably stratified radiative zone below it, allowing us to explore the effects of overshooting convection. We examine the scaling of the mean flows and thermal state with rotation rate and mass and link these scalings to fundamental parameters of the simulations. Indeed, we find that the differential rotation becomes much stronger with more rapid rotation and larger mass, scaling as {Delta}{Omega}{proportional_to}M {sup 3.9}{Omega}{sup 0.6}{sub 0}. Accompanying the growing differential rotation is a significant latitudinal temperature contrast, with amplitudes of 1000 K or higher in the most rapidly rotating cases. This contrast in turn scales with mass and rotation rate as {Delta}T{proportional_to}M {sup 6.4}{Omega}{sup 1.6}{sub 0}. On the other hand, the meridional circulations become much weaker with more rapid rotation and with higher mass, with their kinetic energy decreasing as KE{sub MC}{proportional_to}M {sup -1.2}{Omega}{sup -0.8}{sub 0}. Additionally, three of our simulations exhibit a global-scale shear instability within their stable regions that persists for the duration of the simulations. The flow structures associated with the instabilities have a direct coupling to and impact on the flows within the convection zone.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

EXPLORING MAGNETIC FIELD STRUCTURE IN STAR-FORMING CORES WITH POLARIZATION OF THERMAL DUST EMISSION

The configuration and evolution of the magnetic field in star-forming cores are investigated in order to directly compare simulations and observations. We prepare four different initial clouds having different magnetic field strengths and rotation rates, in which magnetic field lines are aligned/misaligned with the rotation axis. First, we calculate the evolution of such clouds from the prestellar stage until long after protostar formation. Then, we calculate the polarization of thermal dust emission expected from the simulation data. We create polarization maps with arbitrary viewing angles and compare them with observations. Using this procedure, we confirmed that the polarization distribution projected on the celestial plane strongly depends on the viewing angle of the cloud. Thus, by comparing the observations with the polarization map predicted by the simulations, we can roughly determine the angle between the direction of the global magnetic field and the line of sight. The configuration of the polarization vectors also depends on the viewing angle. We find that an hourglass configuration of magnetic field lines is not always realized in a collapsing cloud when the global magnetic field is misaligned with the cloud rotation axis. Depending on the viewing angle, an S-shaped configuration of the magnetic field (or the polarization vectors) appears early in the protostellar accretion phase. This indicates that not only the magnetic field but also the cloud rotation affects the dynamical evolution of such a cloud. In addition, by comparing the simulated polarization with actual observations, we can estimate properties of the host cloud such as the evolutionary stage, magnetic field strength, and rotation rate.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

VOLATILE DELIVERY TO PLANETS FROM WATER-RICH PLANETESIMALS AROUND LOW-MASS STARS

Most models of volatile delivery to accreting terrestrial planets assume that the carriers for water are similar in water content to the carbonaceous chondrites in our solar system. Here we consider how the water content of planetesimals may be higher in many planetary systems, as they could lack the short-lived radionuclides that drove water loss in carbonaceous chondrites in our solar system. Using N-body simulations, we explore how planetary accretion would be different if bodies beyond the water line contained a water-mass fraction consistent with chemical equilibrium calculations, and more similar to comets, as opposed to the more traditional water-depleted values. We apply this model to consider planet formation around stars of different masses and identify trends in the properties of habitable zone planets and planetary system architecture that could be tested by ongoing exoplanet census data collection. Comparison of such data with the model-predicted trends will serve to evaluate how well the N-body simulations and the initial conditions used in studies of planetary accretion can be used to understand this stage of planet formation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

A steady-state alignment front in an accretion disk subjected to Lense–Thirring torques

Using only physical mechanisms, i.e., 3D magnetohydrodynamics (MHD) with no phenomenological viscosity, we have simulated the dynamics of a moderately thin accretion disk subject to torques whose radial scaling mimics those produced by lowest-order post-Newtonian gravitomagnetism. In this simulation, we have shown how, in the presence of MHD turbulence, a time-steady transition can be achieved between an inner disk region aligned with the equatorial plane of the central mass’s spin and an outer region orbiting in a different plane. The position of the equilibrium orientation transition is determined by a balance between gravitomagnetic torque and warp-induced inward mixing of misaligned angular momentum from the outer disk. If the mixing is interpreted in terms of diffusive transport, the implied diffusion coefficient is ≃(0.6–0.8)c{sub s}{sup 2}/Ω for sound speed c{sub s} and orbital frequency Ω. This calibration permits estimation of the orientation transition’s equilibrium location given the central mass, its spin parameter, and the disk’s surface density and scaleheight profiles. However, the alignment front overshoots before settling into an equilibrium, signaling that a diffusive model does not fully represent the time-dependent properties of alignment fronts under these conditions. Because the precessional torque on the disk at the alignment front is always comparable to the rate at which misaligned angular momentum is brought inward to the front by warp-driven radial motions, no break forms between the inner and outer portions of the disk in our simulation. Our results also raise questions about the applicability to MHD warped disks of the traditional distinction between “bending wave” and “diffusive” regimes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

GRAND MINIMA AND EQUATORWARD PROPAGATION IN A CYCLING STELLAR CONVECTIVE DYNAMO

The 3D MHD Anelastic Spherical Harmonic code, using slope-limited diffusion, is employed to capture convective and dynamo processes achieved in a global-scale stellar convection simulation for a model solar-mass star rotating at three times the solar rate. The dynamo-generated magnetic fields possesses many timescales, with a prominent polarity cycle occurring roughly every 6.2 years. The magnetic field forms large-scale toroidal wreaths, whose formation is tied to the low Rossby number of the convection in this simulation. The polarity reversals are linked to the weakened differential rotation and a resistive collapse of the large-scale magnetic field. An equatorial migration of the magnetic field is seen, which is due to the strong modulation of the differential rotation rather than a dynamo wave. A poleward migration of magnetic flux from the equator eventually leads to the reversal of the polarity of the high-latitude magnetic field. This simulation also enters an interval with reduced magnetic energy at low latitudes lasting roughly 16 years (about 2.5 polarity cycles), during which the polarity cycles are disrupted and after which the dynamo recovers its regular polarity cycles. An analysis of this grand minimum reveals that it likely arises through the interplay of symmetric and antisymmetric dynamo families. This intermittent dynamo state potentially results from the simulation’s relatively low magnetic Prandtl number. A mean-field-based analysis of this dynamo simulation demonstrates that it is of the α-Ω type. The timescales that appear to be relevant to the magnetic polarity reversal are also identified.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

THE FORMATION OF SHELL GALAXIES SIMILAR TO NGC 7600 IN THE COLD DARK MATTER COSMOGONY

We present new deep observations of 'shell' structures in the halo of the nearby elliptical galaxy NGC 7600, alongside a movie of galaxy formation in a cold dark matter (CDM) universe. The movie, based on an ab initio cosmological simulation, shows how continuous accretion of clumps of dark matter and stars creates a swath of diffuse circumgalactic structures. The disruption of a massive clump on a near-radial orbit creates a complex system of transient concentric shells which bare a striking resemblance to those of NGC 7600. With the aid of the simulation we interpret NGC 7600 in the context of the CDM model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

NEW VARIABLE JET MODELS FOR HH 34

We consider newly derived proper motions of the HH 34 jet to reconstruct the evolution of this outflow. We first extrapolate ballistic trajectories for the knots (starting from their present-day positions and velocities) and find that at {approx}1000 yr in the future most of them will merge to form a larger-mass structure. This mass structure will be formed close to the present-day position of the HH 34S bow shock. We then carry out a fit to the ejection velocity versus time reconstructed from the observed proper motions (assuming that the past motion of the knots was ballistic) and use this fit to compute axisymmetric jet simulations. We find that the intensity maps predicted from these simulations do indeed match reasonably well the [S II] structure of HH 34 observed in Hubble Space Telescope images.

79 ASTRONOMY AND ASTROPHYSICS↗