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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

A compact quantum correction model for symmetric double gate metal-oxide-semiconductor field-effect transistor

A compact quantum correction model for a symmetric double gate (DG) metal-oxide-semiconductor field-effect transistor (MOSFET) is investigated. The compact quantum correction model is proposed from the concepts of the threshold voltage shift (ΔV{sub TH}{sup QM}) and the gate capacitance (C{sub g}) degradation. First of all, ΔV{sub TH}{sup QM} induced by quantum mechanical (QM) effects is modeled. The C{sub g} degradation is then modeled by introducing the inversion layer centroid. With ΔV{sub TH}{sup QM} and the C{sub g} degradation, the QM effects are implemented in previously reported classical model and a comparison between the proposed quantum correction model and numerical simulation results is presented. Based on the results, the proposed quantum correction model can be applicable to the compact model of DG MOSFET.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effective thermal conductivity of metal and non-metal particulate composites with interfacial thermal resistance at high volume fraction of nano to macro-sized spheres

In this study, we propose a theoretical model to compute the effective thermal conductivity of metal and dielectric spherical particle reinforced composites with interfacial thermal resistance. We consider a wide range of filler volume fraction with sizes ranging from nano- to macro-scale. The model, based on the differential effective medium theory, accounts for particle interactions through two sets of volume fraction corrections. The first correction accounts for a finite volume of composite and the second correction introduces a self-crowding factor that allows us to develop an accurate model for particle interaction even for high volume fraction of fillers. The model is examined to other published models, experiments, and numerical simulations for different types of composites. We observe an excellent agreement between the model and published datasets over a wide range of particle volume fractions and material properties of the composite constituents.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Through-silicon via-induced strain distribution in silicon interposer

Strain in silicon induced by Through-Silicon Via (TSV) integration is of particular interest in the frame of the integration of active devices in silicon interposer. Nano-focused X-ray beam diffraction experiments were conducted using synchrotron radiation to investigate the thermally induced strain field in silicon around copper filled TSVs. Measurements were performed on thinned samples at room temperature and during in situ annealing at 400 °C. In order to correlate the 2D strain maps with finite elements analysis, an analytical model was developed, which takes into account beam absorption in the sample for a given diffraction geometry. The strain field along the [335] direction is found to be in the 10{sup −5} range at room temperature and around 10{sup −4} at 400 °C. Simulations support the expected plastification in some regions of the TSV during the annealing step.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Numerical modeling of heat transfer in molten silicon during directional solidification process

Numerical investigation is performed for some of the thermal and fluid flow properties of silicon melt during directional solidification by numerical modeling. Dimensionless numbers are extremely useful to understand the heat and mass transfer of fluid flow on Si melt and control the flow patterns during crystal growth processes. The average grain size of whole crystal would increase when the melt flow is laminar. In the silicon growth process, the melt flow is mainly driven by the buoyancy force resulting from the horizontal temperature gradient. The thermal and flow pattern influences the quality of the crystal through the convective heat and mass transport. The computations are carried out in a 2D axisymmetric model using the finite-element technique. The buoyancy effect is observed in the melt domain for a constant Rayleigh number and for different Prandtl numbers. The convective heat flux and Reynolds numbers are studied in the five parallel horizontal cross section of melt silicon region. And also, velocity field is simulated for whole melt domain with limited thermal boundaries. The results indicate that buoyancy forces have a dramatic effect on the most of melt region except central part.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

3D toroidal physics: Testing the boundaries of symmetry breaking

Toroidal symmetry is an important concept for plasma confinement; it allows the existence of nested flux surface MHD equilibria and conserved invariants for particle motion. However, perfect symmetry is unachievable in realistic toroidal plasma devices. For example, tokamaks have toroidal ripple due to discrete field coils, optimized stellarators do not achieve exact quasi-symmetry, the plasma itself continually seeks lower energy states through helical 3D deformations, and reactors will likely have non-uniform distributions of ferritic steel near the plasma. Also, some level of designed-in 3D magnetic field structure is now anticipated for most concepts in order to provide the plasma control needed for a stable, steady-state fusion reactor. Such planned 3D field structures can take many forms, ranging from tokamaks with weak 3D edge localized mode suppression fields to stellarators with more dominant 3D field structures. This motivates the development of physics models that are applicable across the full range of 3D devices. Ultimately, the questions of how much symmetry breaking can be tolerated and how to optimize its design must be addressed for all fusion concepts. A closely coupled program of simulation, experimental validation, and design optimization is required to determine what forms and amplitudes of 3D shaping and symmetry breaking will be compatible with the requirements of future fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

The interplay between dynamic heterogeneities and structure of bulk liquid water: A molecular dynamics simulation study

In order to study the interplay between dynamical heterogeneities and structural properties of bulk liquid water in the temperature range 130–350 K, thus including the supercooled regime, we use the explicit trend of the distribution functions of some molecular properties, namely, the rotational relaxation constants, the atomic mean-square displacements, the relaxation of the cross correlation functions between the linear and squared displacements of H and O atoms of each molecule, the tetrahedral order parameter q and, finally, the number of nearest neighbors (NNs) and of hydrogen bonds (HBs) per molecule. Two different potentials are considered: TIP4P-Ew and a model developed in this laboratory for the study of nanoconfined water. The results are similar for the dynamical properties, but are markedly different for the structural characteristics. In particular, for temperatures higher than that of the dynamic crossover between “fragile” (at higher temperatures) and “strong” (at lower temperatures) liquid behaviors detected around 207 K, the rotational relaxation of supercooled water appears to be remarkably homogeneous. However, the structural parameters (number of NNs and of HBs, as well as q) do not show homogeneous distributions, and these distributions are different for the two water models. Another dynamic crossover between “fragile” (at lower temperatures) and “strong” (at higher temperatures) liquid behaviors, corresponding to the one found experimentally at T{sup ∗} ∼ 315 ± 5 K, was spotted at T{sup ∗} ∼ 283 K and T{sup ∗} ∼ 276 K for the TIP4P-Ew and the model developed in this laboratory, respectively. It was detected from the trend of Arrhenius plots of dynamic quantities and from the onset of a further heterogeneity in the rotational relaxation. To our best knowledge, it is the first time that this dynamical crossover is detected in computer simulations of bulk water. On the basis of the simulation results, the possible mechanisms of the two crossovers at molecular level are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Suppression and nonlinear excitation of parasitic modes in second harmonic gyrotrons operating in a very high order mode

In recent years, there was an active development of high-power, sub-terahertz (sub-THz) gyrotrons for numerous applications. For example, a 0.67 THz gyrotron delivering more than 200 kW with about 20% efficiency was developed. This record high efficiency was achieved because the gyrotron operated in a high-order TE{sub 31,8}-mode with the power of ohmic losses less than 10% of the power of outgoing radiation. That gyrotron operated at the fundamental cyclotron resonance, and a high magnetic field of about 27 T was created by a pulse solenoid. For numerous applications, it is beneficial to use gyrotrons at cyclotron harmonics which can operate in available cryomagnets with fields not exceeding 15 T. However, typically, the gyrotron operation at harmonics faces severe competition from parasitic modes at the fundamental resonance. In the present paper, we consider a similar 0.67 THz gyrotron designed for operation in the same TE{sub 31,8}-mode, but at the second harmonic. We focus on two nonlinear effects typical for interaction between the fundamental and second harmonic modes, viz., the mode suppression and the nonlinear excitation of the mode at the fundamental harmonic by the second harmonic oscillations. Our study includes both the analytical theory and numerical simulations performed with the self-consistent code MAGY. The simulations show that stable second harmonic operation in the TE{sub 31,8} mode is possible with only modest sacrifice of efficiency and power.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Bubble shape and electromagnetic field in the nonlinear regime for laser wakefield acceleration

The electromagnetic field in the electron “bubble” regime for ultra-intense laser wakefield acceleration was solved using the d'Alembert equations. Ignoring the residual electrons, we assume an ellipsoidal bubble forms under ideal conditions, with bubble velocity equal to the speed of light in vacuum. The general solution for bubble shape and electromagnetic field were obtained. The results were confirmed in 2.5D PIC (particle-in-cell) simulations. Moreover, slopes for the longitudinal electric field of larger than 0.5 were found in these simulations. With spherical bubbles, this slope is always smaller than or equal to 0.5. This behavior validates the ellipsoid assumption.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Evolution of bulk strain solitons in cylindrical inhomogeneous shells

Bulk strain solitary waves in nonlinearly elastic thin-walled cylindrical shells with variable geometrical and physical parameters are studied, and equation for the longitudinal strain component with the variable coefficients is derived. A conservative finite difference scheme is proposed, and the results of numerical simulation of the strain soliton evolution in a shell with the abrupt variations of cross section and physical properties of the material are presented.

42 ENGINEERING↗
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 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 OSTI2014

RAYLEIGH-TAYLOR TYPE INSTABILITIES IN THE RECONNECTION EXHAUST JET AS A MECHANISM FOR SUPRA-ARCADE DOWNFLOWS IN THE SUN

Supra-arcade downflows (hereafter referred to as SADs) are low-emission, elongated, finger-like features observed in active region coronae above post-eruption flare arcades. Observations exhibit downward moving SADs intertwined with bright upward growing spikes. Whereas SADs are dark voids, spikes are brighter, denser structures. Although SADs have been observed for more than a decade, the mechanism of the formation of SADs remains an open issue. Using three-dimensional resistive magnetohydrodynamic simulations, we demonstrate that Rayleigh-Taylor-type instabilities develop in the downstream region of a reconnecting current sheet. The instabilities result in the formation of low-density coherent structures that resemble SADs, and high-density structures that appear to be spike-like. Comparison between the simulation results and observations suggests that Rayleigh-Taylor-type instabilities in the exhaust of reconnecting current sheets provide a plausible mechanism for observed SADs.

79 ASTRONOMY AND ASTROPHYSICS↗