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At least 1,225 records · Page 68
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DOE OSTI2014

Note: Numerical simulation and experimental validation of accelerating voltage formation for a pulsed electron accelerator

This paper describes the development of a computation model of a pulsed voltage generator for a repetitive electron accelerator. The model is based on a principle circuit of the generator, supplemented with the parasitics elements of the construction. Verification of the principle model was achieved by comparison of simulation with experimental results, where reasonable agreement was demonstrated for a wide range of generator load resistance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Numerical simulation: Toward the design of high-efficiency planar perovskite solar cells

Organo-metal halide perovskite solar cells based on planar architecture have been reported to achieve remarkably high power conversion efficiency (PCE, >16%), rendering them highly competitive to the conventional silicon based solar cells. A thorough understanding of the role of each component in solar cells and their effects as a whole is still required for further improvement in PCE. In this work, the planar heterojunction-based perovskite solar cells were simulated with the program AMPS (analysis of microelectronic and photonic structures)-1D. Simulation results revealed a great dependence of PCE on the thickness and defect density of the perovskite layer. Meanwhile, parameters including the work function of the back contact as well as the hole mobility and acceptor density in hole transport materials were identified to significantly influence the performance of the device. Strikingly, an efficiency over 20% was obtained under the moderate simulation conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Numerical simulations used for a validity check on the laser induced photo-detachment diagnostic method in electronegative plasmas

Laser photo-detachment is used as a method to measure or determine the negative ion density and temperature in electronegative plasmas. In essence, the method consists of producing an electropositive channel (negative ion free region) via pulsed laser photo-detachment within an electronegative plasma bulk. Electrostatic probes placed in this channel measure the change in the electron density. A second pulse might be used to track the negative ion recovery. From this, the negative ion density and temperature can be determined. We study the formation and relaxation of the electropositive channel via a two-dimensional Particle-In-Cell/Mote Carlo collision model. The simulation is mainly carried out in a Hydrogen plasma with an electronegativity of α = 1, with a parametric study for α up to 20. The temporal and spatial evolution of the plasma potential and the electron densities shows the formation of a double layer (DL) confining the photo-detached electrons within the electropositive channel. This DL evolves into two fronts that move in the opposite directions inside and outside of the laser spot region. As a consequence, within the laser spot region, the background and photo-detached electron energy distribution function relaxes/thermalizes via collisionless effects such as Fermi acceleration and Landau damping. Moreover, the simulations show that collisional effects and the DL electric field strength might play a non-negligible role in the negative ion recovery within the laser spot region, leading to a two-temperature negative ion distribution. The latter result might have important effects in the determination of the negative ion density and temperature from laser photo detachment diagnostic.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Numerical simulation of heat and mass transfer in unsteady nanofluid between two orthogonally moving porous coaxial disks

The paper deals with the study of heat and mass transfer in an unsteady viscous incompressible water-based nanofluid (containing Titanium dioxide nanoparticles) between two orthogonally moving porous coaxial disks with suction. A combination of iterative (successive over relaxation) and a direct method is employed for solving the sparse systems of linear algebraic equations arising from the FD discretization of the linearized self similar ODEs. It has been noticed that the rate of mass transfer at the disks decreases with the permeability Reynolds number whether the disks are approaching or receding. The findings of the present investigation may be beneficial for the electronic industry in maintaining the electronic components under effective and safe operational conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Numerical simulation of gas dynamics and heat exchange tasks in fuel assemblies of the nuclear reactors

This report presents a PC-based program for solution gas dynamics and heat exchange mathematical tasks in fuel assemblies of the fast-neutron nuclear reactors. A fuel assembly consisting of bulk heat-generating elements, which are integrated together by the system of supply and pressure manifolds, is examined. Spherical heat-generating microelements, which contain nuclear fuel, are pulled into the heat-generating elements. Gaseous coolant proceed from supply manifolds to heat-generating elements, where it withdraws the nuclear reaction heat and assembles in pressure manifolds.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

3D numerical simulation of the long range propagation of acoustical shock waves through a heterogeneous and moving medium

Many situations involve the propagation of acoustical shock waves through flows. Natural sources such as lightning, volcano explosions, or meteoroid atmospheric entries, emit loud, low frequency, and impulsive sound that is influenced by atmospheric wind and turbulence. The sonic boom produced by a supersonic aircraft and explosion noises are examples of intense anthropogenic sources in the atmosphere. The Buzz-Saw-Noise produced by turbo-engine fan blades rotating at supersonic speed also propagates in a fast flow within the engine nacelle. Simulating these situations is challenging, given the 3D nature of the problem, the long range propagation distances relative to the central wavelength, the strongly nonlinear behavior of shocks associated to a wide-band spectrum, and finally the key role of the flow motion. With this in view, the so-called FLHOWARD (acronym for FLow and Heterogeneous One-Way Approximation for Resolution of Diffraction) method is presented with three-dimensional applications. A scalar nonlinear wave equation is established in the framework of atmospheric applications, assuming weak heterogeneities and a slow wind. It takes into account diffraction, absorption and relaxation properties of the atmosphere, quadratic nonlinearities including weak shock waves, heterogeneities of the medium in sound speed and density, and presence of a flow (assuming a mean stratified wind and 3D turbulent ? flow fluctuations of smaller amplitude). This equation is solved in the framework of the one-way method. A split-step technique allows the splitting of the non-linear wave equation into simpler equations, each corresponding to a physical effect. Each sub-equation is solved using an analytical method if possible, and finite-differences otherwise. Nonlinear effects are solved in the time domain, and others in the frequency domain. Homogeneous diffraction is handled by means of the angular spectrum method. Ground is assumed perfectly flat and rigid. Due to the 3D aspect, the code was massively parallelized using the single program, multiple data paradigm with the Message Passing Interfaces (MPI) for distributed memory architectures. This allows us to handle problems in the order of a thousand billion mesh points in the four dimensions (3 dimensions of space plus time). The validity of the method has been thoroughly evaluated on many cases with known solutions: linear piston, scattering of plane wave by a heterogeneous sphere, propagation in a waveguide with a shear flow, scattering by a finite amplitude vortex and nonlinear propagation in a thermoviscous medium. This validation process allows for a detailed assessment of the advantages and limitations of the method. Finally, applications to atmospheric propagation of shock waves will be presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Numerical simulations of the first operational conditions of the negative ion test facility SPIDER

In view of the realization of the negative ion beam injectors for ITER, a test facility, named SPIDER, is under construction in Padova (Italy) to study and optimize production and extraction of negative ions. The present paper is devoted to the analysis of the expected first operations of SPIDER in terms of single-beamlet and multiple-beamlet simulations of the hydrogen beam optics in various operational conditions. The effectiveness of the methods adopted to compensate for the magnetic deflection of the particles is also assessed. Indications for a sequence of the experimental activities are obtained.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Numerical simulation and experiment on split tungsten carbide cylinder of high pressure apparatus

A new high pressure device with a split cylinder was investigated on the basis of the belt-type apparatus. The belt-type die is subjected to excessive tangential tensile stress and the tungsten carbide cylinder is easily damaged in the running process. Taking into account the operating conditions and material properties of the tungsten carbide cylinder, it is divided into 6 blocks to eliminate the tangential tensile stress. We studied two forms of the split type: radial split and tangential split. Simulation results indicate that the split cylinder has more uniform stress distribution and smaller equivalent stress compared with the belt-type cylinder. The inner wall of the tangential split cylinder is in the situation that compressive stress is distributed in the axial, radial, and tangential directions. It is similar to the condition of hydrostatic pressure, and it is the best condition for tungsten carbide materials. The experimental results also verify that the tangential split die can bear the highest chamber pressure. Therefore, the tangential split structure can increase the pressure bearing capacity significantly.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Direct numerical simulations of agglomeration of circular colloidal particles in two-dimensional shear flow

Colloidal agglomeration of nanoparticles in shear flow is investigated by solving the fluid-particle and particle-particle interactions in a 2D system. We use an extended finite element method in which the dynamics of the particles is solved in a fully coupled manner with the flow, allowing an accurate description of the fluid-particle interfaces without the need of boundary-fitted meshes or of empirical correlations to account for the hydrodynamic interactions between the particles. Adaptive local mesh refinement using a grid deformation method is incorporated with the fluid-structure interaction algorithm, and the particle-particle interaction at the microscopic level is modeled using the Lennard-Jones potential. Motivated by the process used in fabricating fuel cell catalysts from a colloidal ink, the model is applied to investigate agglomeration of colloidal particles under external shear flow in a sliding bi-periodic Lees-Edwards frame with varying shear rates and particle fraction ratios. Both external shear and particle fraction are found to have a crucial impact on the structure formation of colloidal particles in a suspension. Segregation intensity and graph theory are used to analyze the underlying agglomeration patterns and structures, and three agglomeration regimes are identified.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
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 OSTI2016

Numerical simulation of fiber interaction in short-fiber injection-molded composite using different cavity geometries

The theoretical fiber-interaction model for calculating the fiber orientation in the injection molded short fiber/thermoplastic composite parts was proposed. The proposed model included the fiber dynamics simulation in order to obtain an equation of the global interaction coefficient and accurate estimate of the fiber interacts at all orientation states. The steps to derive the equation for this coefficient in short fiber suspension as a function of the fiber aspect ratio, volume fraction and general shear rate are delineated. Simultaneously, the high-resolution 3D X-ray computed tomography system XVA-160α was used to observe fiber distribution of short-glass-fiber-reinforced polyamide specimens using different cavity geometries. The fiber orientation tensor components are then calculated. Experimental orientation measurements of short-glass-fiber-reinforced polyamide is used to check the ability of present theory for predicting orientation. The experiments and predictions show a quantitative agreement and confirm the basic understanding of fiber orientation in injection-molded composites.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Design and numerical simulation of a high power capacity relativistic backward wave oscillator with an electron collection cavity

A high power capacity relativistic backward wave oscillator with an electron collection cavity (ECC) placed at the downstream of the slow wave structure (SWS) is presented. The breakdown threshold is increased, and the density of seed electron is suppressed by preventing the secondary electron, plasma, and powder generated from the bombardment of spent electron beam on the surface of the collector drifting to the extractor and beam-wave interaction region. The maximum longitudinal electric field in the device is reduced through extension of the span between electron beam and slow wave structure and weakening the Cerenkov radiation. The conversion efficiency reaches up to 52% owing to enhanced transit time radiation taking place at the entrance of the ECC. The maximum longitudinal electric field is 1.1 MV/cm on the surface of SWSs when the output power is 7.3 GW and the power capacity improves significantly.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Numerical simulation of losses along a natural circulation helium loop

A natural circulation helium loop appears to be a perspective passive method of a nuclear reactor cooling. When designing this device, it is important to analyze the mechanism of an internal flow. The flow of helium in the loop is set in motion due to a difference of hydrostatic pressures between cold and hot branch. Steady flow at a requested flow rate occurs when the buoyancy force is adjusted to resistances against the flow. Considering the fact that the buoyancy force is proportional to a difference of temperatures in both branches, it is important to estimate the losses correctly in the process of design. The paper deals with the calculation of losses in branches of the natural circulation helium loop by methods of CFD. The results of calculations are an important basis for the hydraulic design of both exchangers (heater and cooler). The analysis was carried out for the existing model of a helium loop of the height 10 m and nominal heat power 250 kW.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Impact of carrier localization on recombination in InGaN quantum wells and the efficiency of nitride light-emitting diodes: Insights from theory and numerical simulations

We investigate the effect of carrier localization due to random alloy fluctuations on the radiative and Auger recombination rates in InGaN quantum wells as a function of alloy composition, crystal orientation, carrier density, and temperature. Our results show that alloy fluctuations reduce individual transition matrix elements by the separate localization of electrons and holes, but this effect is overcompensated by the additional transitions enabled by translational symmetry breaking and the resulting lack of momentum conservation. Thus, we find that localization increases both radiative and Auger recombination rates, but that Auger recombination rates increase by one order of magnitude more than radiative rates. Moreover, we demonstrate that localization has an overall detrimental effect on the efficiency-droop and green-gap problems of InGaN light-emitting diodes.

36 MATERIALS SCIENCE↗