Results for “simulated current” — Page 44

DOE OSTI2016

Toward error-free scaled spin torque majority gates

The functionality of a cross-shaped Spin Torque Majority Gate is explored by means of micromagnetic simulations. The different input combinations are simulated varying material parameters, current density and size. The main failure mode is identified: above a critical size, a domain wall can be pinned at the center of the cross, preventing further propagation of the information. By simulating several phase diagrams, the key parameters are obtained and the operating condition is deduced. A simple relation between the domain wall width and the size of the Spin Torque Majority Gate determines the working range. Finally, a correlation is found between the energy landscape and the main failure mode. We demonstrate that a macrospin behavior ensures a reliable majority gate operation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

NuQKD: A Modular Quantum Key Distribution Simulation Framework for Engineering Applications

Abstract An experimental Quantum Key Distribution (QKD) implementation requires advanced costly hardware, unavailable in most research environments, making protocol testing and performance evaluation complicated. This has been a major motivation for the development of QKD simulation frameworks, to allow researchers to obtain insight before proceeding into practical implementations. Several simulators have been introduced over the recent years. However, only four are publicly available, only one of which models equipment imperfections. Currently, no open‐source simulator includes all following capabilities: channel attenuation modelling, equipment imperfections and effects on key rates, estimation of elapsed time during classical and quantum‐ channel processes, use of truly random binary sequences for qubits and measurement bases, shared ‐bit fraction customization. In this paper, we present NuQKD, an open‐ source modular, intuitive simulator, featuring all the above capabilities. NuQKD establishes communication between two computer terminals, accepts custom user inputs (iterations, raw key size, attacker interception rate etc.) and evaluates the sifted key, Quantum Bit Error Rate (QBER), elapsed communication time, and more. NuQKD capabilities include optical fiber and free ‐space simulation, modeling of equipment/channel imperfections, bitstrings from True Random Number Generators, decoy‐state protocol support, and automated evaluation of performance metrics. We expect NuQKD to enable convenient and accurate representation of actual experimental conditions.

Gkouliaras, Konstantinos↗

DOE OSTI2017

SIERRA/Aero Theory Manual (V.4.44)

SIERRA/Aero is a two and three dimensional, node-centered, edge-based finite volume code that approximates the compressible Navier-Stokes equations on unstructured meshes. It is applicable to inviscid and high Reynolds number laminar and turbulent flows. Currently, two classes of turbulence models are provided: Reynolds Averaged Navier-Stokes (RANS) and hybrid methods such as Detached Eddy Simulation (DES). Large Eddy Simulation (LES) models are currently under development. The gas may be modeled either as ideal, or as a non-equilibrium, chemically reacting mixture of ideal gases. This document describes the mathematical models contained in the code, as well as certain implementation details. First, the governing equations are presented, followed by a description of the spatial discretization. Next, the time discretization is described, and finally the boundary conditions. Throughout the document, SIERRA/ Aero is referred to simply as Aero for brevity.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

SIERRA/Aero Theory Manual Version 4.46.

SIERRA/Aero is a two and three dimensional, node-centered, edge-based finite volume code that approximates the compressible Navier-Stokes equations on unstructured meshes. It is applicable to inviscid and high Reynolds number laminar and turbulent flows. Currently, two classes of turbulence models are provided: Reynolds Averaged Navier-Stokes (RANS) and hybrid methods such as Detached Eddy Simulation (DES). Large Eddy Simulation (LES) models are currently under development. The gas may be modeled either as ideal, or as a non-equilibrium, chemically reacting mixture of ideal gases. This document describes the mathematical models contained in the code, as well as certain implementation details. First, the governing equations are presented, followed by a description of the spatial discretization. Next, the time discretization is described, and finally the boundary conditions. Throughout the document, SIERRA/ Aero is referred to simply as Aero for brevity.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

SIERRA/Aero Theory Manual - Version 4.48

SIERRA/Aero is a two and three dimensional, node-centered, edge-based finite volume code that approximates the compressible Navier-Stokes equations on unstructured meshes. It is applicable to inviscid and high Reynolds number laminar and turbulent flows. Currently, two classes of turbulence models are provided: Reynolds Averaged Navier-Stokes (RANS) and hybrid methods such as Detached Eddy Simulation (DES). Large Eddy Simulation (LES) models are currently under development. The gas may be modeled either as ideal, or as a non-equilibrium, chemically reacting mixture of ideal gases. This document describes the mathematical models contained in the code, as well as certain implementation details. First, the governing equations are presented, followed by a description of the spatial discretization. Next, the time discretization is described, and finally the boundary conditions. Throughout the document, SIERRA/ Aero is referred to simply as Aero for brevity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

SIERRA/Aero Theory Manual (V.4.42)

SIERRA/Aero is a two and three dimensional, node-centered, edge-based finite volume code that approximates the compressible Navier-Stokes equations on unstructured meshes. It is applicable to inviscid and high Reynolds number laminar and turbulent flows. Currently, two classes of turbulence models are provided: Reynolds Averaged Navier-Stokes (RANS) and hybrid methods such as Detached Eddy Simulation (DES). Large Eddy Simulation (LES) models are currently under development. The gas may be modeled either as ideal, or as a non-equilibrium, chemically reacting mixture of ideal gases. This document describes the mathematical models contained in the code, as well as certain implementation details. First, the governing equations are presented, followed by a description of the spatial discretization. Next, the time discretization is described, and finally the boundary conditions. Throughout the document, SIERRA/ Aero is referred to simply as Aero for brevity.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

SIERRA/Aero Theory Manual (V4.40)

SIERRA/Aero is a two and three dimensional, node-centered, edge-based finite volume code that approximates the compressible Navier-Stokes equations on unstructured meshes. It is applicable to inviscid and high Reynolds number laminar and turbulent flows. Currently, two classes of turbulence models are provided: Reynolds Averaged Navier-Stokes (RANS) and hybrid methods such as Detached Eddy Simulation (DES). Large Eddy Simulation (LES) models are currently under development. The gas may be modeled either as ideal, or as a non-equilibrium, chemically reacting mixture of ideal gases. This document describes the mathematical models contained in the code, as well as certain implementation details. First, the governing equations are presented, followed by a description of the spatial discretization. Next, the time discretization is described, and finally the boundary conditions. Throughout the document, SIERRA/ Aero is referred to simply as Aero for brevity.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

The propagation of particulate gravity currents in a V-shaped triangular cross section channel: Lock-release experiments and shallow-water numerical simulations

In this study, we investigate the motion of particulate gravity currents in a horizontal V-shaped channel. The particulate currents consisted of particles whose size varied between 0 and 100 μm but whose mean size increased. Particles were poorly sorted as the variance of the grain size distributions varied between 50 and 200. While the phases of propagation of homogeneous currents in such a geometry have been studied in the literature, this study considers the effects of the grain size on the propagation. The distance of propagation and front velocity of full-depth high-Reynolds-number lock-release experiments and shallow-water equation simulations were analyzed as the mean grain size of the initial particle distributions, defined by mass, was increased from 19 to 58 μm. Similar to the homogeneous currents, three consecutive phases of the front velocity could be identified but their characteristics and extent depend on the particle size. The initial phase, in particular, depends on a dimensionless settling number β that is defined as the ratio of two characteristic time scales, the propagation time x{sub 0}/U, where U is the scale for the front speed and x{sub 0} the lock length, and the settling time h{sub 0}/v{sub s}, where v{sub s} is the scale for the settling velocity and h{sub 0} the initial height of the current. For dimensionless settling numbers less than 0.001, the initial phase is characterized by a constant velocity for over about 6-7 lock lengths that is alike the initial slumping phase of perfectly constant velocity of the homogeneous currents. For dimensionless settling numbers greater than 0.001 and less than 0.015, the initial phase is no longer characterized by a constant velocity but an almost constant velocity for over about a similar 6-7 lock lengths. For dimensionless settling numbers greater than 0.015, however, as such, this phase is no longer seen. This initial phase is followed by a continuous decrease of the front advance, which results from the sedimentation of the particles. Unlike the homogeneous currents, this phase is a non-self-similar propagation. This phase is ended by a viscosity-dominated phase appearing to vary as ∼t{sup 1/7}. The good agreement between the front advance of the experiments and shallow-water equation simulations demonstrates that the mean size by mass is a fairly good proxy of poorly sorted particles.

42 ENGINEERING↗

DOE OSTI2014

Direct first-principles simulation of a high-performance electron emitter: Lithium-oxide-coated diamond surface

We examined the field emission properties of lithium(Li)/oxygen(O)-co-terminated diamond (001) surface [C(001)-LiO] through real-time electron dynamics simulation under an applied field. The current emitted from this surface was found to be more than four-fold that emitted by an H-terminated (001) surface, the latter being a typical negative electron affinity system. This high performance is attributed to the Li layer, which bends the potential wall of O-induced electron pockets down in the direction of vacuum, thus facilitating electron emission. Detailed analysis of the emitted electrons and the profile of the self-consistent potential elucidated that the role of O atoms changes from an electron barrier on OH-terminated diamond surfaces to an outlet for electron emission on C(001)-LiO.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Study of self-consistent particle flows in a plasma blob with particle-in-cell simulations

The self-consistent particle flows in a filamentary coherent structure along the magnetic field line in scrape-off layer (SOL) plasma (plasma blob) have been investigated by means of a three-dimensional electrostatic particle-in-cell simulation code. The presence of the spiral current system composed of the diamagnetic and parallel currents in a blob is confirmed by the particle simulation without any assumed sheath boundary models. Furthermore, the observation of the electron and ion parallel velocity distributions in a blob shows that those distributions are far from Maxwellian due to modification with the sheath formation and that the electron temperature on the higher potential side in a blob is higher than that on the lower potential side. Also, it is found that the ions on the higher potential side are accelerated more intensively along the magnetic field line than those on the lower potential side near the edge. This study indicates that particle simulations are able to provide an exact current closure to analysis of blob dynamics and will bring more accurate prediction of plasma transport in the SOL without any empirical assumptions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

Evidence for Neutral-Current Diffractive π 0 Production from Hydrogen in Neutrino Interactions on Hydrocarbon

Here, the MINERvA experiment observes an excess of events containing electromagnetic showers relative to the expectation from Monte Carlo simulations in neutral-current neutrino interactions with mean beam energy of 4.5 GeV on a hydrocarbon target. The excess is characterized and found to be consistent with neutral-current π 0 production with a broad energy distribution peaking at 7 GeV and a total cross section of 0.26 $\pm$ 0.02 (stat) $\pm$ 0.08 (sys) x $10^{-39} cm^{2}$. The angular distribution, electromagnetic shower energy, and spatial distribution of the energy depositions of the excess are consistent with expectations from neutrino neutral-current diffractive neutral pion production from hydrogen in the hydrocarbon target. These data comprise the first direct experimental observation and constraint for a reaction that poses an important background process in neutrino oscillation experiments searching for $\nu_{\mu}$to $\nu_e$ oscillations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2017

Theoretical Calculation and Simulation Studies of Balancing Forces and Axisymmetric Poloidal Halo Current in EAST

A new technology for developing fusion energy is to use hydrogen isotopes i.e., deuterium (D) and tritium (T) which is a combine effort for building up of International Thermonuclear Reactor (ITER) named as Tokamak, which will come into operation in 2020. Handsome amount of work has already been performed by many scientists contingent with plasma shape, halo current and plasma equilibrium properties by numerical techniques. Halo current calculation is the most important work in fusion reactors. In this paper, halo current and plasma cross-section energy have been calculated. The research covers calculation of plasma energy and determines the force on the vessel by magnetic field transformation method, which is the essential part of calculating halo current. Further, vertical displacement event (VDE) up/down halo current models have been calculated. These models give total magnetic field, asymmetric forces, conducting points and poloidal halo current.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Discussion on molecular dynamics (MD) simulations of the asphalt materials

The application of asphalt materials in pavement engineering has been increasingly widespread and sophisticated over the past several decades. Variations in the properties of asphalt binder during mixing, transportation, and paving can affect the performance of asphalt pavement. However, the asphalt material is a non-homogeneous and complex organic substance, consisting of various molecules with widely various molecular weights, elemental compositions, and structures. This complexity leads to difficulties for researchers to clearly and immediately understand the properties of asphalt materials and their variations. The multi-scale research approach combines macroscopic experimental data and microscopic simulation results from a practical engineering perspective. It helps to improve the understanding of asphalt materials. The molecular dynamics (MD) simulation proposes a corresponding molecular model of asphalt material based on experimental data, and the simulation algorithm is able to derive properties similar to those of real asphalt. Here, this paper provides a comprehensive review of the current studies on MD simulation of asphalt materials, including modeling, properties, and multi-scale analysis. As a key part of the computational simulation, this paper discusses the typical asphalt binder and asphalt-aggregate interface models constructed by different groups, and also presents their differences from real samples and their feasibility based on fundamental properties. After the introduction of molecular models, the extensive work made by researchers based on molecular models is categorically reviewed and discussed. The strengths and weaknesses of MD simulation methods in the study of asphalt materials are also summarized in order to provide the reader with a more comprehensive understanding of the relevant contents and to guide subsequent research.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Transient current induced in thin film diamonds by swift heavy ions

Single crystal diamond is a suitable material for the next generation particle detectors because of the superior electrical properties and the high radiation tolerance. In order to investigate charge transport properties of diamond particle detectors, transient currents generated in diamonds by single swift heavy ions (26 MeV O 5 + and 45 MeV Si 7 + ) are investigated. We also measured two dimensional maps of transient currents by single ion hits. In the case of 50 μm-thick diamond, both the signal height and the collected charge are reduced by the subsequent ion hits and the charge collection time is extended. Our results are thought to be attributable to the polarization effect in diamond and it appears only when the transient current is dominated by hole current. In the case of 6 μm-thick diamond membrane, an “island” structure is found in the 2D map of transient currents. Signals in the islands shows different applied bias dependence from signals in other regions, indicating different crystal and/or metal contact quality. Simulation study of transient currents based on the Shockley-Ramo theorem clarifies that accumulation of space charges changes distribution of electric field in diamond and causes the polarization effect.

36 MATERIALS SCIENCE↗

DOE OSTI2012

Electric field measurement in microwave discharge ion thruster with electro-optic probe

In order to understand the internal phenomena in a microwave discharge ion thruster, it is important to measure the distribution of the microwave electric field inside the discharge chamber, which is directly related to the plasma production. In this study, we proposed a novel method of measuring a microwave electric field with an electro-optic (EO) probe based on the Pockels effect. The probe, including a cooling system, contains no metal and can be accessed in the discharge chamber with less disruption to the microwave distribution. This method enables measurement of the electric field profile under ion beam acceleration. We first verified the measurement with the EO probe by a comparison with a finite-difference time domain numerical simulation of the microwave electric field in atmosphere. Second, we showed that the deviations of the reflected microwave power and the beam current were less than 8% due to inserting the EO probe into the ion thruster under ion beam acceleration. Finally, we successfully demonstrated the measurement of the electric-field profile in the ion thruster under ion beam acceleration. These measurements show that the electric field distribution in the thruster dramatically changes in the ion thruster under ion beam acceleration as the propellant mass flow rate increases. These results indicate that this new method using an EO probe can provide a useful guide for improving the propulsion of microwave discharge ion thrusters.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2014

Study of gain and photoresponse characteristics for back-illuminated separate absorption and multiplication GaN avalanche photodiodes

The gain and photoresponse characteristics have been numerically studied for back-illuminated separate absorption and multiplication (SAM) GaN avalanche photodiodes (APDs). The parameters of fundamental models are calibrated by simultaneously comparing the simulated dark and light current characteristics with the experimental results. Effects of environmental temperatures and device dimensions on gain characteristics have been investigated, and a method to achieve the optimum thickness of charge layer is obtained. The dependence of gain characteristics and breakdown voltage on the doping concentration of the charge layer is also studied in detail to get the optimal charge layer. The bias-dependent spectral responsivity and quantum efficiency are then presented to study the photoresponse mechanisms inside SAM GaN APDs. It is found the responsivity peak red-shifts at first due to the Franz-Keldysh effect and then blue-shifts due to the reach-through effect of the absorption layer. Finally, a new SAM GaN/AlGaN heterojunction APD structure is proposed for optimizing SAM GaN APDs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Electronic properties of NH{sub 4}-adsorbed graphene nanoribbon as a promising candidate for a gas sensor

The electronic properties of NH{sub 4}-adsorbed N = 7 armchair graphene nanoribbons (AGNRs) were theoretically investigated using self-consistent atomistic simulations to explore the feasibility of AGNRs as a gas sensing material. Whereas a pristine AGNR has a finite band gap and is an intrinsic semiconductor, an NH{sub 4}-adsorbed AGNR exhibits heavily doped n-type properties similar to a graphene sheet with the molecules adsorbed. The electric characteristics of a back-gated AGNR gas sensor were also simulated and the drain current changed exponentially with increasing number of adsorbed molecules. We may conclude that an AGNR is promising as a highly sensitive gas-sensing material with large outputs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2014

Wind Resource Assessment of Gujarat (India)

India is one of the largest wind energy markets in the world. In 1986 Gujarat was the first Indian state to install a wind power project. In February 2013, the installed wind capacity in Gujarat was 3,093 MW. Due to the uncertainty around existing wind energy assessments in India, this analysis uses the Weather Research and Forecasting (WRF) model to simulate the wind at current hub heights for one year to provide more precise estimates of wind resources in Gujarat. The WRF model allows for accurate simulations of winds near the surface and at heights important for wind energy purposes. While previous resource assessments published wind power density, we focus on average wind speeds, which can be converted to wind power densities by the user with methods of their choice. The wind resource estimates in this study show regions with average annual wind speeds of more than 8 m/s.

17 WIND ENERGY↗