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At least 1,549 records · Page 86

Implementation and Validation of Photon Transport in OpenMC

OpenMC is a Monte Carlo particle transport code focused on reactor physics calculations. It stochastically simulates neutrons moving through 3D models using constructive solid geometry and continuous-energy cross sections. Recently, a photon transport capability was added to OpenMC. In reactor simulations, photon transport is needed, for example, to account for photon heating: although the majority of the energy deposited at a fission site comes from the kinetic energy of the fission fragments, a nontrivial portion can be carried away by photons. Therefore, photons produced in neutron reactions must be simulated in order to accurately model energy deposition. OpenMC can now simulate neutron-induced photon production as well as perform pure photon calculations. The four basic photon interactions with matter — coherent (Rayleigh) scattering, incoherent (Compton) scattering, the photoelectric effect, and pair production — are modeled. Secondary processes that can create new photons (i.e., atomic relaxation, electron-positron annihilation, and bremsstrahlung) are also included. The methods implemented here were validated against MCNP6 for a variety of materials and energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Superadiabatic scheme for optimizing the fast generation of tree-type 3D entanglement

High-dimensional entanglement has more superior security than qubit entanglement. Recently, adiabatic and fast-adiabatic schemes for generating a novel three-dimensional (3D) entanglement, tree-type 3D entanglement, were proposed. However, the previous schemes have their experimental defects, respectively. Here we give a superadiabatic scheme for optimizing the generation of tree-type 3D entanglement. Adequate numerical simulations prove that the scheme is not only fast, effective and robust, but also highly feasible in experiment. - Highlights: • The scheme for generating tree-type 3D entanglement is not only fast but also robust against the variation in the control parameters and decoherence induced by atomic spontaneous emissions and photon leakages from the cavity-fiber system. • The designed driving pulses are experimentally feasible Gaussian pulses which can reduce experimental difficulties. • The Hamiltonian used to speed up generating tree-type 3D entanglement is of the same form as the original Hamiltonian, which will greatly enhances the experimental feasibility of the scheme.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

3D orthorhombic earth model effects on seismic source characterization

Most earth materials are anisotropic with regard to seismic wave-speeds, especially materials such as shales, or where oriented fractures are present. However, the base assumption for many numerical simulations is to treat earth materials as isotropic media. This is done for simplicity, the apparent weakness of anisotropy in the far field, and the lack of well-characterized anisotropic material properties for input into numerical simulations. One approach for addressing the higher complexity of actual geologic regions is to model the material as an orthorhombic medium. We have developed an explicit time-domain, finite-difference (FD) algorithm for simulating three-dimensional (3D) elastic wave propagation in a heterogeneous orthorhombic medium. The objective of this research is to investigate the errors and biases that result from modeling a non-isotropic medium as an isotropic medium. This is done by computing “observed data” by using synthetic, anisotropic simulations with the assumption of an orthorhombic, anisotropic earth model. Green’s functions for an assumed isotropic earth model are computed and then used an inversion designed to estimate moment tensors with the “observed” data. One specific area of interest is how shear waves, which are introduced in an anisotropic model even for an isotropic explosion, affect the characterization of seismic sources when isotropic earth assumptions are made. This work is done in support of the modeling component of the Source Physics Experiment (SPE), a series of underground chemical explosions at the Nevada National Security Site (NNSS).

58 GEOSCIENCES↗

Interface for Physics Simulation Engines

DSS-Prototyper is an open-source, realtime 3D virtual environment software that supports design simulation for the new Vision for Space Exploration (VSE). This is a simulation of NASA's proposed Robotic Lunar Exploration Program, second mission (RLEP2). It simulates the Lunar Surface Access Module (LSAM), which is designed to carry up to four astronauts to the lunar surface for durations of a week or longer. This simulation shows the virtual vehicle making approaches and landings on a variety of lunar terrains. The physics of the descent engine thrust vector, production of dust, and the dynamics of the suspension are all modeled in this set of simulations. The RLEP2 simulations are drivable (by keyboard or joystick) virtual rovers with controls for speed and motor torque, and can be articulated into higher or lower centers of gravity (depending on driving hazards) to enable drill placement. Gravity also can be set to lunar, terrestrial, or zero-g. This software has been used to support NASA's Marshall Space Flight Center in simulations of proposed vehicles for robotically exploring the lunar surface for water ice, and could be used to model all other aspects of the VSE from the Ares launch vehicles and Crew Exploration Vehicle (CEV) to the International Space Station (ISS). This simulator may be installed and operated on any Windows PC with an installed 3D graphics card.

Damer, Bruce↗

3D modeling of deep borehole electromagnetic measurements with energized casing source for fracture mapping at the Utah Frontier Observatory for Research in Geothermal Energy

Here, we present a 3D numerical modelling analysis evaluating the deployment of a borehole electromagnetic measurement tool to detect and image a stimulated zone at the Utah Frontier Observatory for Research in Geothermal Energy geothermal site. As the depth to the geothermal reservoir is several kilometres and the size of the stimulated zone is limited to several 100 m, surface-based controlled-source electromagnetic measurements lack the sensitivity for detecting changes in electrical resistivity caused by the stimulation. To overcome the limitation, the study evaluates the feasibility of using a three-component borehole magnetic receiver system at the Frontier Observatory for Research in Geothermal Energy site. To provide sufficient currents inside and around the enhanced geothermal reservoir, we use an injection well as an energized casing source. To efficiently simulate energizing the injection well in a realistic 3D resistivity model, we introduce a novel modelling workflow that leverages the strengths of both 3D cylindrical-mesh-based electromagnetic modelling code and 3D tetrahedral-mesh-based electromagnetic modelling code. The former is particularly well-suited for modelling hollow cylindrical objects like casings, whereas the latter excels at representing more complex 3D geological structures. In this workflow, our initial step involves computing current densities along a vertical steel-cased well using a 3D cylindrical electromagnetic modelling code. Subsequently, we distribute a series of equivalent current sources along the well's trajectory within a complex 3D resistivity model. We then discretize this model using a tetrahedral mesh and simulate the borehole electromagnetic responses excited by the casing source using a 3D finite-element electromagnetic code. This multi-step approach enables us to simulate 3D casing source electromagnetic responses within a complex 3D resistivity model, without the need for explicit discretization of the well using an excessive number of fine cells. We discuss the applicability and limitations of this proposed workflow within an electromagnetic modelling scenario where an energized well is deviated, such as at the Frontier Observatory for Research in Geothermal Energy site. Using the workflow, we demonstrate that the combined use of the energized casing source and the borehole electromagnetic receiver system offer measurable magnetic field amplitudes and sensitivity to the deep localized stimulated zone. The measurements can also distinguish between parallel-fracture anisotropic reservoirs and isotropic cases, providing valuable insights into the fracture system of the stimulated zone. Besides the magnetic field measurements, vertical electric field measurements in the open well sections are also highly sensitive to the stimulated zone and can be used as additional data for detecting and imaging the target. We can also acquire additional multiple-source data by grounding the surface electrode at various locations and repeating borehole electromagnetic measurements. This approach can increase the number of monitoring data by several factors, providing a more comprehensive dataset for analysing the deep-localized stimulated zone. The numerical analysis indicates that it is feasible to use the combination of the energized casing and downhole electromagnetic measurements in monitoring localized stimulated zone at large depths.

58 GEOSCIENCES↗

A GRID OF THREE-DIMENSIONAL STELLAR ATMOSPHERE MODELS OF SOLAR METALLICITY. I. GENERAL PROPERTIES, GRANULATION, AND ATMOSPHERIC EXPANSION

Present grids of stellar atmosphere models are the workhorses in interpreting stellar observations and determining their fundamental parameters. These models rely on greatly simplified models of convection, however, lending less predictive power to such models of late-type stars. We present a grid of improved and more reliable stellar atmosphere models of late-type stars, based on deep, three-dimensional (3D), convective, stellar atmosphere simulations. This grid is to be used in general for interpreting observations and improving stellar and asteroseismic modeling. We solve the Navier Stokes equations in 3D and concurrent with the radiative transfer equation, for a range of atmospheric parameters, covering most of stellar evolution with convection at the surface. We emphasize the use of the best available atomic physics for quantitative predictions and comparisons with observations. We present granulation size, convective expansion of the acoustic cavity, and asymptotic adiabat as functions of atmospheric parameters.

79 ASTRONOMY AND ASTROPHYSICS↗

Multi-Fidelity Bayesian Optimization with Gaussian Processes for Double Shell Inertial Confinement Fusion Target Design

Reliable, secure access to energy is a major focus for national security efforts. One potential route to such energy is through fusion reactions in inertial confinement fusion (ICF) experiments. Such experiments are carried out at facilities such as the National Ignition Facility (NIF) in Livermore, California, where high powered lasers are used to compress a DT fuel-containing target to the necessary high temperature, high pressure conditions. These experiments are limited in number, which creates a heavy dependence on high fidelity predictive physics simulations and analysis performed “pre shot,” or before the experiment occurs. Many of these simulations in higher dimensions (2D and 3D) are computationally expensive, so finding optimal simulation-based designs presents its own challenges. In this work, we present our multi-fidelity Bayesian optimization with Gaussian processes (GPs) for ICF double shell targets, where a 1D surrogate model is used to help find a 2D surrogate model, enabling us to find optimal targets in the higher fidelity (2D), while saving computational cost.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Slat Cove Unsteadiness Effect of 3D Flow Structures

Previous studies have indicated that 2D, time accurate computations based on a pseudo-laminar zonal model of the slat cove region (within the framework of the Reynolds-Averaged Navier-Stokes equations) are inadequate for predicting the full unsteady dynamics of the slat cove flow field. Even though such computations could capture the large-scale, unsteady vorticity structures in the slat cove region without requiring any external forcing, the simulated vortices were excessively strong and the recirculation zone was unduly energetic in comparison with the PIV measurements for a generic high-lift configuration. To resolve this discrepancy and to help enable physics based predictions of slat aeroacoustics, the present paper is focused on 3D simulations of the slat cove flow over a computational domain of limited spanwise extent. Maintaining the pseudo-laminar approach, current results indicate that accounting for the three-dimensionality of flow fluctuations leads to considerable improvement in the accuracy of the unsteady, nearfield solution. Analysis of simulation data points to the likely significance of turbulent fluctuations near the reattachment region toward the generation of broadband slat noise. The computed acoustic characteristics (in terms of the frequency spectrum and spatial distribution) within short distances from the slat resemble the previously reported, subscale measurements of slat noise.

Choudhari, Meelan M.↗

Direct Write of 3D Nanoscale Mesh Objects with Platinum Precursor via Focused Helium Ion Beam Induced Deposition

The next generation optical, electronic, biological, and sensing devices as well as platforms will inevitably extend their architecture into the 3rd dimension to enhance functionality. In focused ion beam induced deposition (FIBID), a helium gas field ion source can be used with an organometallic precursor gas to fabricate nanoscale structures in 3D with high-precision and smaller critical dimensions than focused electron beam induced deposition (FEBID), traditional liquid metal source FIBID, or other additive manufacturing technology. In this work, we report the effect of beam current, dwell time, and pixel pitch on the resultant segment and angle growth for nanoscale 3D mesh objects. We note subtle beam heating effects, which impact the segment angle and the feature size. Additionally, we investigate the competition of material deposition and sputtering during the 3D FIBID process, with helium ion microscopy experiments and Monte Carlo simulations. Our results show complex 3D mesh structures measuring ~300 nm in the largest dimension, with individual features as small as 16 nm at full width half maximum (FWHM). These assemblies can be completed in minutes, with the underlying fabrication technology compatible with existing lithographic techniques, suggesting a higher-throughput pathway to integrating FIBID with established nanofabrication techniques.

36 MATERIALS SCIENCE↗

Efficient Simulation of Welding Distortion in Large Structures and Its Reduction by Jig Constraints

Two large construction machinery structures were welded separately with and without jig constraints. The welding distortion of the entire structure was measured by a 3D coordinate measuring system and simulated by elastic FEM using the inherent deformation method. To obtain an accurate inherent deformation, a thermal elastoplastic FE analysis of simple one-side fillet joints with and without jig constraints was performed. Efficient simulation of welding distortion in large structures was accomplished by applying inherent deformation in a localized region, and the effect of jig constraint on the reduction of welding distortion was clarified. The computation of inherent deformation, the weld zone definition and the conversion of inherent deformation into inherent strain were automated. Measured and computed welding distortions in large structures had a good correspondence with respect to both tendency and magnitude. Further investigation of jig configuration was performed for enhanced reduction of welding distortion. Alternative controlling techniques for common welded structures were also addressed.

36 MATERIALS SCIENCE↗

Magnetized directly-driven ICF capsules: increased instability growth from non-uniform laser drive

Simulations anticipate increased perturbation growth from non-uniform laser heating for magnetized direct-drive implosions. At the capsule pole, where the magnetic field is normal to the ablator surface, the field remains in the conduction zone and suppresses non-radial thermal conduction; in unmagnetized implosions this non-radial heat-flow is crucial in mitigating laser heating imbalances. Single-mode simulations show the magnetic field particularly amplifying short wavelength perturbations, whose behavior is dominated by thermal conduction. The most unstable wavelength can also become shorter. 3D multi-mode simulations of the capsule pole reinforce these findings, with increased perturbation growth anticipated across a wide range of scales. Finally, the results indicate that high-gain spherical direct-drive implosions require greater constraints on the laser heating uniformity when magnetized.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Kinetic Simulations of Radiative Magnetic Reconnection in the Coronae of Accreting Black Holes

We perform 2D and 3D particle-in-cell simulations of reconnection in magnetically dominated e ± plasmas subject to strong Compton cooling. Magnetic reconnection under such conditions can operate in accretion disk coronae around black holes, which produce hard X-rays through Comptonization. Our simulations show that most of the plasma in the reconnection layer is kept cold by Compton losses and locked in magnetically dominated plasmoids with a small thermal pressure. Compton drag clears cavities inside plasmoids and also affects their bulk motions. These effects, however, weakly change the reconnection rate and the plasmoid size distribution from those in nonradiative reconnection. This demonstrates that the reconnection dynamics is governed by similar magnetic stresses in both cases and weakly affected by thermal pressure. We examine the energy distribution of particles energized by radiative reconnection and observe two distinct components: (1) A mildly relativistic peak, which results from bulk motions of cooled plasmoids. This component receives most of the dissipated reconnection power and dominates the output X-ray emission. The peak has a quasi-Maxwellian shape with an effective temperature of ~100 keV. Thus, it mimics thermal Comptonization used previously to fit hard-state spectra of accreting black holes. (2) A high-energy tail, which receives ~20% of the dissipated reconnection power. It is populated by particles accelerated impulsively at X-points or "picked up" by fast outflows from X-points. The high-energy particles immediately cool, and their inverse Compton emission explains the MeV spectral tail detected in the hard state of Cyg X-1. Our first-principle simulations support magnetic reconnection as a mechanism powering hard X-ray emission from magnetically dominated regions of accreting black holes.

79 ASTRONOMY AND ASTROPHYSICS↗

Multiple-view spectrally resolved x-ray imaging observations of polar-direct-drive implosions on OMEGA

We present spatially, temporally, and spectrally resolved narrow- and broad-band x-ray images of polar-direct-drive (PDD) implosions on OMEGA. These self-emission images were obtained during the deceleration phase and bang time using several multiple monochromatic x-ray imaging instruments fielded along two or three quasi-orthogonal lines-of-sight, including equatorial and polar views. The instruments recorded images based on K-shell lines from a titanium tracer located in the shell as well as continuum emission. These observations constitute the first such data obtained for PDD implosions. The image data show features attributed to laser imprinting and zero-order hydrodynamics. Equatorial-view images show a “double bun” structure that is consistent with synthetic images obtained from post-processing 2D and 3D radiation-hydrodynamic simulations of the experiment. Polar-view images show a pentagonal, petal pattern that correlates with the PDD laser illumination used on OMEGA, thus revealing a 3D aspect of PDD OMEGA implosions not previously observed. Differences are noted with respect to a PDD experiment performed at National Ignition Facility.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Interoperable Technologies for Advanced Petascale Simulations

Our final report on the accomplishments of ITAPS at Stony Brook during period covered by the research award includes component service, interface service and applications. On the component service, we have designed and implemented a robust functionality for the Lagrangian tracking of dynamic interface. We have migrated the hyperbolic, parabolic and elliptic solver from stage-wise second order toward global second order schemes. We have implemented high order coupling between interface propagation and interior PDE solvers. On the interface service, we have constructed the FronTier application programer's interface (API) and its manual page using doxygen. We installed the FronTier functional interface to conform with the ITAPS specifications, especially the iMesh and iMeshP interfaces. On applications, we have implemented deposition and dissolution models with flow and implemented the two-reactant model for a more realistic precipitation at the pore level and its coupling with Darcy level model. We have continued our support to the study of fluid mixing problem for problems in inertial confinement fusion. We have continued our support to the MHD model and its application to plasma liner implosion in fusion confinement. We have simulated a step in the reprocessing and separation of spent fuels from nuclear power plant fuel rods. We have implemented the fluid-structure interaction for 3D windmill and parachute simulations. We have continued our collaboration with PNNL, BNL, LANL, ORNL, and other SciDAC institutions.

97 MATHEMATICS AND COMPUTING↗

Effects of Spin-Orbit Resonances and Tidal Heating on the Inner Edge of the Habitable Zone

Much attention has been given to the climate dynamics and habitable boundaries of synchronously rotating planets around low mass stars. However, other rotational states are possible, including spin–orbit resonant configurations, particularly when higher eccentricity orbits can be maintained in a system. Additionally, the oscillating strain as a planet moves from periastron to apoastron results in friction and tidal heating, which can be an important energy source. Here, we simulate the climate of ocean-covered planets near the inner edge of the habitable zone around M to solar stars with the NASA GISS ROCKE-3D general circulation model, and leverage the planetary evolution software package, VPLanet, to calculate tidal heating rates for Earth-sized planets orbiting 2600 and 3000 K stars. This study is the first to use a 3D general circulation model that implements tidal heating to investigate habitability for multiple resonant states. We find that for reference experiments without tidal heating, the resonant state has little impact on the radial position of the inner edge because for a given stellar flux, higher-order states tend to be warmer than synchronous rotators, but for a given temperature, have drier upper atmospheres. However, when strong tidal heating is present, the rotational component implies a strong dependence of habitable conditions on the system evolution and rotational state. Since tidal and stellar heating both decrease rapidly with orbital distance, this results in a compact orbital width separating temperate and uninhabitable climates. We summarize these results and also compare ROCKE-3D to previously published simulations of the inner edge.

Spin-Orbit Resonances↗

Nonresonant particle acceleration in strong turbulence: Comparison to kinetic and MHD simulations

Collisionless, magnetized turbulence offers a promising framework for the generation of nonthermal high-energy particles in various astrophysical sites. Yet, the detailed mechanism that governs particle acceleration has remained subject to debate. By means of 2D and 3D particle-in-cell, as well as 3D (incompressible) magnetohydrodynamic (MHD) simulations, we test here a recent model of nonresonant particle acceleration in strongly magnetized turbulence, which ascribes the energization of particles to their continuous interaction with the random velocity flow of the turbulence, in the spirit of the original Fermi model. To do so, we compare, for a large number of particles that were tracked in the simulations, the predicted and the observed histories of particles momenta. The predicted history is that derived from the model, after extracting from the simulations, at each point along the particle trajectory, the three force terms that control acceleration: the acceleration of the field line velocity projected along the field line direction, its shear projected along the same direction, and its transverse compressive part. Overall, we find a clear correlation between the model predictions and the numerical experiments, indicating that this nonresonant model can successfully account for the bulk of particle energization through Fermi-type processes in strongly magnetized turbulence. Additionally we also observe that the parallel shear contribution tends to dominate the physics of energization in the particle-in-cell simulations, while in the magnetohydrodynamic incompressible simulation, both the parallel shear and the transverse compressive term provide about equal contributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Multi-mode quasi-static excitation for systems with nonlinear joints

Finite element models can be used to model and predict the hysteresis and energy dissipation exhibited by nonlinear joints in structures. As a result of the nonlinearity, the frequency and damping of a mode is dependent on excitation amplitude, and when the modes remain uncoupled, quasi-static modal analysis has been shown to efficiently predict this behavior. However, in some cases the modes have been observed to couple such that the frequency and damping of one mode is dependent on the amplitude of other modes. To model the interactions between modes, one must integrate the dynamic equations in time, which is several orders of magnitude more expensive than quasi-static analysis. This work explores an alternative where quasi-static forces are applied in the shapes of two or more modes of vibration simultaneously, and the resulting load–displacement curves are used to deduce the effect of other modes on the effective frequency and damping of the mode in question. This methodology is demonstrated on a simple 2D cantilever beam structure with a single bolted joint which exhibits micro-slip nonlinearity over a range of vibration amplitudes. The predicted frequency and damping are compared with those extracted from a few expensive dynamic simulations of the structure, showing that the quasi-static approach produces reasonable albeit highly conservative bounds on the observed dynamics. This framework is also demonstrated on a 3D structure where dynamic simulations are infeasible.

42 ENGINEERING↗

Modeling Volatile Species Retention Experiments (Interim Progress Report) (M3FT-12LA0202053)

Metal nuclear fuel is a candidate transmutation fuel form for advanced fuel cycles. One constituent of the fuel, americium, has a high vapor pressure, and there is a concern that excessive volatility losses of americium will occur during casting of the metal. A number of experiments have been performed using americium and surrogate metals, including experiments slated for FY12, to address the concern. The present task is to model and numerically simulate these experiments. This report describes a system-level model of the relevant experiments that has been developed together with some results. It also describes some initial 3D, full-physics simulations of portions of the experiments that have been performed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗