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At least 1,153 records · Page 64

Atomistic characterization of SAM coatings as gate insulators in Si-based FET devices

Many nano-material systems are currently under consideration as possible candidates for gate dielectric insulators in both metal-oxide-semiconductor (MOSFET) and organic (OFET) field-effect transistors. In this contribution, the possibility of employing self-assembled monolayers (SAMs) of hydroxylated octadecyltrichlorosilane (OTS) chains on a (111) Si substrate as gate dielectrics is discussed; in particular ab initio theoretical simulations have been employed to study the structural properties, work function modifications, and the insulating properties of OTS thin film coatings on Si substrates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Design of 95 GHz gyrotron based on continuous operation copper solenoid with water cooling

The design work for 2nd harmonic 95 GHz, 50 kW gyrotron based on continuous operation copper solenoid is presented. Thermionic magnetron injection gun specifications were calculated according to the linear trade off equation, and simulated with CST program. Numerical code is used for cavity design using the non-uniform string equation as well as particle motion in the “cold” cavity field. The mode TE02 with low Ohmic losses in the cavity walls was chosen as the operating mode. The Solenoid is designed to induce magnetic field of 1.8 T over a length of 40 mm in the interaction region with homogeneity of ±0.34%. The solenoid has six concentric cylindrical segments (and two correction segments) of copper foil windings separated by water channels for cooling. The predicted temperature in continuous operation is below 93 °C. The parameters of the design together with simulation results of the electromagnetic cavity field, magnetic field, electron trajectories, and thermal analyses are presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Computational evaluation of the flexoelectric effect in dielectric solids

Flexoelectricity is a size-dependent electromechanical mechanism coupling polarization and strain gradient. It exists in a wide variety of materials, and is most noticeable for nanoscale objects, where strain gradients are higher. Simulations are important to understand flexoelectricity because experiments at very small scales are difficult, and analytical solutions are scarce. Here, we computationally evaluate the role of flexoelectricity in the electromechanical response of linear dielectric solids in two-dimensions. We deal with the higher-order coupled partial differential equations using smooth meshfree basis functions in a Galerkin method, which allows us to consider general geometries and boundary conditions. We focus on the most common setups to quantify the flexoelectric response, namely, bending of cantilever beams and compression of truncated pyramids, which are generally interpreted through approximate solutions. While these approximations capture the size-dependent flexoelectric electromechanical coupling, we show that they only provide order-of-magnitude estimates as compared with a solution fully accounting for the multidimensional nature of the problem. We discuss the flexoelectric mechanism behind the enhanced size-dependent elasticity in beam configurations. We show that this mechanism is also responsible for the actuation of beams under purely electrical loading, supporting the idea that a mechanical flexoelectric sensor also behaves as an actuator. The predicted actuation-induced curvature is in a good agreement with experimental results. The truncated pyramid configuration highlights the critical role of geometry and boundary conditions on the effective electromechanical response. Our results suggest that computer simulations can help understanding and quantifying the physical properties of flexoelectric devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Time-resolved photoemission electron microscopy imaging of mode coupling between three interacting magnetic vortices

The interactions between three magnetic vortices in a planar equilateral triangular arrangement were studied by time-resolved photoemission electron microscopy. The gyrotropic resonance frequencies of the three individual vortices in the tri-disk system are different from one another and also shifted from that of an isolated vortex by as much as 12%. A comparison with analytical calculations and numerical simulations shows that the observed frequency shifts result from the dipolar interaction between the vortices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Discrete velocity computations with stochastic variance reduction of the Boltzmann equation for gas mixtures

We extend a variance reduced discrete velocity method developed at UT Austin [1, 2] to gas mixtures with large mass ratios and flows with trace species. The mixture is stored as a collection of independent velocity distribution functions, each with a unique grid in velocity space. Different collision types (A-A, A-B, B-B, etc.) are treated independently, and the variance reduction scheme is formulated with different equilibrium functions for each separate collision type. The individual treatment of species enables increased focus on species important to the physics of the flow, even if the important species are present in trace amounts. The method is verified through comparisons to Direct Simulation Monte Carlo computations and the computational workload per time step is investigated for the variance reduced method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Gallium nitride L3 photonic crystal cavities with an average quality factor of 16 900 in the near infrared

Photonic crystal point-defect cavities were fabricated in a GaN free-standing photonic crystal slab. The cavities are based on the popular L3 design, which was optimized using an automated process based on a genetic algorithm, in order to maximize the quality factor. Optical characterization of several individual cavity replicas resulted in an average unloaded quality factor Q = 16 900 at the resonant wavelength λ∼1.3 μm, with a maximal measured Q value of 22 500. The statistics of both the quality factor and the resonant wavelength are well explained by first-principles simulations including fabrication disorder and background optical absorption.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Progress in preparing scenarios for operation of the International Thermonuclear Experimental Reactor

The development of operating scenarios is one of the key issues in the research for ITER which aims to achieve a fusion gain (Q) of ∼10, while producing 500 MW of fusion power for ≥300 s. The ITER Research plan proposes a success oriented schedule starting in hydrogen and helium, to be followed by a nuclear operation phase with a rapid development towards Q ∼ 10 in deuterium/tritium. The Integrated Operation Scenarios Topical Group of the International Tokamak Physics Activity initiates joint activities among worldwide institutions and experiments to prepare ITER operation. Plasma formation studies report robust plasma breakdown in devices with metal walls over a wide range of conditions, while other experiments use an inclined EC launch angle at plasma formation to mimic the conditions in ITER. Simulations of the plasma burn-through predict that at least 4 MW of Electron Cyclotron heating (EC) assist would be required in ITER. For H-modes at q{sub 95} ∼ 3, many experiments have demonstrated operation with scaled parameters for the ITER baseline scenario at n{sub e}/n{sub GW} ∼ 0.85. Most experiments, however, obtain stable discharges at H{sub 98(y,2)} ∼ 1.0 only for β{sub N} = 2.0–2.2. For the rampup in ITER, early X-point formation is recommended, allowing auxiliary heating to reduce the flux consumption. A range of plasma inductance (l{sub i}(3)) can be obtained from 0.65 to 1.0, with the lowest values obtained in H-mode operation. For the rampdown, the plasma should stay diverted maintaining H-mode together with a reduction of the elongation from 1.85 to 1.4. Simulations show that the proposed rampup and rampdown schemes developed since 2007 are compatible with the present ITER design for the poloidal field coils. At 13–15 MA and densities down to n{sub e}/n{sub GW} ∼ 0.5, long pulse operation (>1000 s) in ITER is possible at Q ∼ 5, useful to provide neutron fluence for Test Blanket Module assessments. ITER scenario preparation in hydrogen and helium requires high input power (>50 MW). H-mode operation in helium may be possible at input powers above 35 MW at a toroidal field of 2.65 T, for studying H-modes and ELM mitigation. In hydrogen, H-mode operation is expected to be marginal, even at 2.65 T with 60 MW of input power. Simulation code benchmark studies using hybrid and steady state scenario parameters have proved to be a very challenging and lengthy task of testing suites of codes, consisting of tens of sophisticated modules. Nevertheless, the general basis of the modelling appears sound, with substantial consistency among codes developed by different groups. For a hybrid scenario at 12 MA, the code simulations give a range for Q = 6.5–8.3, using 30 MW neutral beam injection and 20 MW ICRH. For non-inductive operation at 7–9 MA, the simulation results show more variation. At high edge pedestal pressure (T{sub ped} ∼ 7 keV), the codes predict Q = 3.3–3.8 using 33 MW NB, 20 MW EC, and 20 MW ion cyclotron to demonstrate the feasibility of steady-state operation with the day-1 heating systems in ITER. Simulations using a lower edge pedestal temperature (∼3 keV) but improved core confinement obtain Q = 5–6.5, when ECCD is concentrated at mid-radius and ∼20 MW off-axis current drive (ECCD or LHCD) is added. Several issues remain to be studied, including plasmas with dominant electron heating, mitigation of transient heat loads integrated in scenario demonstrations and (burn) control simulations in ITER scenarios.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Numerical estimation of phase transformations in solid state during Yb:YAG laser heating of steel sheets

This work concerns the numerical modeling of heat transfer and phase transformations in solid state occurring during the Yb:YAG laser beam heating process. The temperature field is obtained by the numerical solution into transient heat transfer equation with convective term. The laser beam heat source model is developed using the Kriging interpolation method with experimental measurements of Yb:YAG laser beam profile taken into account. Phase transformations are calculated on the basis of Johnson - Mehl - Avrami (JMA) and Koistinen - Marburger (KM) kinetics models as well as continuous heating transformation (CHT) and continuous cooling transformation (CCT) diagrams for S355 steel. On the basis of developed numerical algorithms 3D computer simulations are performed in order to predict temperature history and phase transformations in Yb:YAG laser heating process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Accelerated domain switching speed in single-crystal LiNbO{sub 3} thin films

By using ionic implantation and wafer bonding technologies, we peeled off a single-crystal LiNbO{sub 3} thin film in the atomic-layer smoothness from the surface of a bulk Z-cut LiNbO{sub 3} single crystal. X-ray diffraction patterns showed only (00l) orientation of the film. From positive-up-negative–down pulse characterization, we measured domain switching current transients under various short-pulse voltages, where we observed domain switching currents to occur separately at time after initial capacitor charging currents. This is similar to early observations in bulk ferroelectric single crystals, where apparent positive/negative coercive fields of domain switching determined from polarization-electric field hysteresis loops always equal maximum/minimum applied fields. However, after pulse stressing of the film for more than 1000 cycles, the domain switching speed is accelerated, where domain switching current overlaps with the initial capacitor charging current with a well-defined coercive field independent of the applied-field strength. Finally, we simulated the whole domain switching current transients with the assumption of the resistance degradation across interfacial passive layers between the film and electrodes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Numerical modeling of the SNS H{sup −} ion source

Ion source rf antennas that produce H- ions can fail when plasma heating causes ablation of the insulating coating due to small structural defects such as cracks. Reducing antenna failures that reduce the operating capabilities of the Spallation Neutron Source (SNS) accelerator is one of the top priorities of the SNS H- Source Program at ORNL. Numerical modeling of ion sources can provide techniques for optimizing design in order to reduce antenna failures. There are a number of difficulties in developing accurate models of rf inductive plasmas. First, a large range of spatial and temporal scales must be resolved in order to accurately capture the physics of plasma motion, including the Debye length, rf frequencies on the order of tens of MHz, simulation time scales of many hundreds of rf periods, large device sizes on tens of cm, and ion motions that are thousands of times slower than electrons. This results in large simulation domains with many computational cells for solving plasma and electromagnetic equations, short time steps, and long-duration simulations. In order to reduce the computational requirements, one can develop implicit models for both fields and particle motions (e.g. divergence-preserving ADI methods), various electrostatic models, or magnetohydrodynamic models. We have performed simulations using all three of these methods and have found that fluid models have the greatest potential for giving accurate solutions while still being fast enough to perform long timescale simulations in a reasonable amount of time. We have implemented a number of fluid models with electromagnetics using the simulation tool USim and applied them to modeling the SNS H- ion source. We found that a reduced, single-fluid MHD model with an imposed magnetic field due to the rf antenna current and the confining multi-cusp field generated increased bulk plasma velocities of > 200 m/s in the region of the antenna where ablation is often observed in the SNS source. We report here on comparisons of simulated plasma parameters and code performance using more accurate physical models, such as two-temperature extended MHD models, for both a related benchmark system describing a inductively coupled plasma reactor, and for the SNS ion source. We also present results from scaling studies for mesh generation and solvers in the USim simulation code.

07 ISOTOPE AND RADIATION SOURCES↗

Magnetic properties of square Py nanowires: Irradiation dose and geometry dependence

Arrays of ferromagnetic patterned nanostructures with single particle lateral dimensions between 160 nm and 400 nm were created by electron-beam lithography. The fourfold particles with rectangular-shaped walls around a square open area were produced from permalloy. Their magnetic properties were measured using the longitudinal magneto-optical Kerr effect. The article reports about the angle-dependent coercive fields and the influence of the e-beam radiation dose on sample shapes. It is shown that a broad range of radiation dose intensities enables reliable creation of nanostructures with parameters relevant for the desired magnetization reversal scenario. The experimental results are finally compared with micromagnetic simulations to explain the findings.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Two-temperature transport coefficients of SF{sub 6}–N{sub 2} plasma

Sulfur hexafluoride (SF{sub 6}) is widely adopted in electric power industry, especially in high-voltage circuit breakers and gas-insulated switchgear. However, the use of SF{sub 6} is limited by its high liquidation temperature and high global warming potential. Recently, research shows SF{sub 6}–N{sub 2} mixture, which shows environmental friendliness and good electrical properties, may be a feasible substitute for pure SF{sub 6}. This paper is devoted to the calculation of and transport coefficients of SF{sub 6}–N{sub 2} mixture under both LTE (local thermodynamic equilibrium) and non-LTE condition. The two–temperature mass action law was used to determine the composition. The transport coefficients were calculated by classical Chapman–Enskog method simplified by Devoto. The thermophysical properties are presented for electron temperatures of 300–40 000 K, ratios of electron to heavy species temperature of 1–10 and N{sub 2} mole fraction of 0%–100% at atmospheric pressure. The ionization processes under both LTE and non-LTE have been discussed. The results show that deviations from local thermodynamic equilibrium significantly affect the properties of SF{sub 6}–N{sub 2} plasma, especially before the plasma is fully ionized. The different influence of N{sub 2} on properties for SF{sub 6}–N{sub 2} plasma in and out of LTE has been found. The results will serve as reliable reference data for computational simulation of the behavior of SF{sub 6}–N{sub 2} plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

GFDM performance in terms of BER, PAPR and OOB and comparison to OFDM system

Generalized frequency division multiplexing is a multicarrier modulation technique which can be foreseen as a potential alternative for upcoming wireless networks. GFDM attractive features include reduced out-of-band radiation(OOB) and low peak-to-average ratio(PAPR), which are the crucial shortcomings of OFDM used in present day wireless communication networks. This paper gives detailed description of GFDM system model and further studies and validates through simulations, the performance of GFDM in terms of OOB, PAPR and Bit Error Rate (BER) and compares the results obtained with OFDM system.

42 ENGINEERING↗

Simulation of effects of direction and air flow speed on temperature distribution in the room covered by various roof materials

The objective of this research is to get a comparison of the distribution of the room temperature by using three materials, namely plastic-rubber composite, clay, and asbestos. The simulation used Ansys Fluent to get the temperature distribution. There were two conditions in this simulations, first the air passing beside the room and second the air passing in front of the room. Each condition will be varied with the air speed of 1 m/s, 2 m/s, 3 m/s, 4 m/s, 5 m/s for each material used. There are three heat transfers in this simulation, namely radiation, convection, and conduction. Based on the ANSI/ ASHRAE Standard 55-2004, the results of the simulation showed that the best temperature distribution was the roof of plastic-rubber composites.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Study of CdTe/CdS solar cell at low power density for low-illumination applications

In this paper, we numerically investigate CdTe/CdS PV cell properties using a simulation program Solar Cell Capacitance Simulator in 1D (SCAPS-1D). A simple structure of CdTe PV cell has been optimized to study the effect of temperature, absorber thickness and work function at very low incident power. Objective of this research paper is to build an efficient and cost effective solar cell for portable electronic devices such as portable computers and cell phones that work at low incident power because most of such devices work at diffused and reflected sunlight. In this report, we simulated a simple CdTe PV cell at very low incident power, which gives good efficiency.

14 SOLAR ENERGY↗

Spin dependent correlations in a homogeneous electron gas at finite temperature

We have studied theoretically the magnetic structure factor of a three-dimensional homogeneous electron gas at finite temperature. The spin density response function has been derived using the Singwi-Tosi-Land-Sjolander (STLS) theory that incorporates the correlation effects through spin anti-symmetric local field correction factor. The numerical results so obtained are compared against the recent path-integral Monte Carlo Simulation data of Brown et al. in the warm-dense regime for various temperature values. We find almost exact agreement at small temperature for different coupling parameter (r{sub s}) values. However, with increasing temperature and decreasing density, there has been observed noticeable disagreement with simulation results. This is attributed to the known failure of the STLS theory in dealing separately with the spin-resolved correlation functions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Evaluating gyro-viscosity in the Kelvin-Helmholtz instability by kinetic simulations

In the present paper, the finite-Larmor-radius (gyro-viscous) term [K. V. Roberts and J. B. Taylor, Phys. Rev. Lett. 8, 197–198 (1962)] is evaluated by using a full kinetic Vlasov simulation result of the Kelvin-Helmholtz instability (KHI). The velocity field and the pressure tensor are calculated from the high-resolution data of the velocity distribution functions obtained by the Vlasov simulation, which are used to approximate the Finite-Larmor-Radius (FLR) term according to Roberts and Taylor [Phys. Rev. Lett. 8, 197–198 (1962)]. The direct comparison between the pressure tensor and the FLR term shows an agreement. It is also shown that the anisotropic pressure gradient enhanced the linear growth of the KHI when the inner product between the vorticity of the primary velocity shear layer and the magnetic field is negative, which is consistent with the previous FLR-magnetohydrodynamic simulation result. This result suggests that it is not sufficient for reproducing the kinetic simulation result by fluid simulations to include the FLR term (or the pressure tensor) only in the equation of motion for fluid.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

THE INFLUENCE OF OUTER SOLAR SYSTEM ARCHITECTURE ON THE STRUCTURE AND EVOLUTION OF THE OORT CLOUD

We study the influence of outer solar system architecture on the structural evolution of the Oort Cloud (OC) and the flux of Earth-crossing comets. In particular, we seek to quantify the role of the giant planets as ''planetary protectors''. To do so, we have run simulations in each of four different planetary mass configurations to understand the significance of each of the giant planets. Because the outer planets modify the structure of the OC throughout its formation, we integrate each simulation over the full age of the solar system. Over this time, we follow the evolution of cometary orbits from their starting point in the protoplanetary disk to their injection into the OC to their possible re-entry into the inner planetary region. We find that the overall structure of the OC, including the location of boundaries and the relative number of comets in the inner and outer parts, does not change significantly between configurations; however, as planetary mass decreases, the trapping efficiency (TE) of comets into the OC and the flux of comets into the observable region increases. We determine that those comets that evolve onto Earth-crossing orbits come primarily from the inner OC but show no preference for initial protoplanetary disk location. We also find that systems that have at least a Saturn-mass object are effective at deflecting possible Earth-crossing comets but the difference in flux between systems with and without such a planet is less than an order of magnitude. We conclude by discussing the individual roles of the planets and the implications of incorporating more realistic planetary accretion and migration scenarios into simulations, particularly on existing discrepancies between low TE and the mass of the protoplanetary disk and on determining the structural boundaries of the OC.

79 ASTRONOMY AND ASTROPHYSICS↗