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Berrill, Mark A

Publications and source records attributed to Berrill, Mark A.

Asynchronous in situ connected-components analysis for complex fluid flows

Fluid flow in porous media is at the heart of problems such as groundwater contamination and carbon sequestration, and presents an important challenge for scientific computing. For this class of problem, large three-dimensional simulations are performed to advance scientific inquiry. On massively parallel computing systems, the volume of data generated by such approaches can become a productivity bottleneck if the raw data generated from the simulation is analyzed in a post-processing step. We present a physics-based framework for in situ data reduction that is theoretically grounded in multiscale averaging theory. We show how task parallelism can be exploited to concurrently perform a variety of analysis tasks with data-dependent costs, including the generation of iso-surfaces, morphological analyses, and connected components analysis. A task management framework is constructed to launch asynchronous analysis threads, manage dependencies between different tasks, promote data locality and hide the impact of data transfers. The framework is applied to analyze GPU-based simulations of two-fluid flow in porous media, generating a set of averaged measures that represents the overall system behavior. We demonstrate how the approach can be applied to perform physically-consistent averaging over fluid subregions using connected components analysis. Simulations performed on Oak Ridge National Lab s Titan supercomputer are profiled to demonstrate the performance of the associated multi-threaded in situ analysis for typical production simulation of two-fluid flow.

Mcclure, James↗

Safer Batteries through Coupled Multiscale Modeling (ICCS 2015)

Batteries are highly complex electrochemical systems, with performance and safety governed by coupled nonlinear electrochemical-electrical-thermal-mechanical processes over a range of spatiotemporal scales. We describe a new, open source computational environment for battery simulation known as VIBE - the Virtual Integrated Battery Environment. VIBE includes homogenized and pseudo-2D electrochemistry models such as those by Newman-Tiedemann-Gu (NTG) and Doyle- Fuller-Newman (DFN, a.k.a. DualFoil) as well as a new advanced capability known as AMPERES (Advanced MultiPhysics for Electrochemical and Renewable Energy Storage). AMPERES provides a 3D model for electrochemistry and full coupling with 3D electrical and thermal models on the same grid. VIBE/AMPERES has been used to create three-dimensional battery cell and pack models that explicitly simulate all the battery components (current collectors, electrodes, and separator). The models are used to predict battery performance under normal operations and to study thermal and mechanical response under adverse conditions.

battery safety↗

Dynamic implicit 3D adaptive mesh refinement for non-equilibrium radiation diffusion

The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial confinement fusion. The associated initial boundary value problems that are encountered often exhibit a wide range of scales in space and time and are extremely challenging to solve. To efficiently and accurately simulate these systems we describe our research on combining techniques that will also find use more broadly for long term time integration of nonlinear multi-physics systems: implicit time integration for efficient long term time integration of stiff multi-physics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton–Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Gain dynamics in a soft X-ray laser ampli er perturbed by a strong injected X-ray eld

Seeding soft X-ray plasma ampli ers with high harmonics has been demonstrated to generate high-brightness soft X-ray laser pulses with full spatial and temporal coherence. The interaction between the injected coherent eld and the swept-gain medium has been modelled. However, no exper- iment has been conducted to probe the gain dynamics when perturbed by a strong external seed eld. Here, we report the rst X-ray pump X-ray probe measurement of the nonlinear response of a plasma ampli er perturbed by a strong soft X-ray ultra-short pulse. We injected a sequence of two time-delayed high-harmonic pulses (l518.9 nm) into a collisionally excited nickel-like molybdenum plasma to measure with femto-second resolution the gain depletion induced by the saturated ampli cation of the high-harmonic pump and its subsequent recovery. The measured fast gain recovery in 1.5 1.75 ps con rms the possibility to generate ultra-intense, fully phase-coherent soft X-ray lasers by chirped pulse ampli cation in plasma ampli ers.

Wang, Yong↗

High-average-power, 100-Hz-repetition-rate, tabletop soft-x-ray lasers at sub-15-nm wavelengths

Efficient excitation of dense plasma columns at 100-Hz repetition rate using a tailored pump pulse profile produced a tabletop soft-x-ray laser average power of 0.1 mW at = 13.9 nm and 20 W at = 11.9 nm from transitions of Ni-like Ag and Ni-like Sn, respectively. Lasing on several other transitions with wavelengths between 10.9 and 14.7 nm was also obtained using 0.9-J pump pulses of 5-ps duration from a compact diode-pumped chirped pulse amplification Yb:YAG laser. Hydrodynamic and atomic plasma simulations show that the pump pulse profile, consisting of a nanosecond ramp followed by two peaks of picosecond duration, creates a plasma with an increased density of Ni-like ions at the time of peak temperature that results in a larger gain coefficient over a temporally and spatially enlarged space leading to a threefold increase in the soft-x-ray laser output pulse energy. The high average power of these compact soft-x-ray lasers will enable applications requiring high photon flux. These results open the path to milliwatt-average-power tabletop soft-x-ray lasers.

Reagan, Brendon↗

A Validation Study of Pin Heat Transfer for UO2 Fuel Based on the IFA-432 Experiments

The IFA-432 (Integrated Fuel Assessment) experiments from the International Fuel Performance Experiments (IFPE) database were designed to study the effects of gap size, fuel density, and fuel densification on fuel centerline temperature in light-water-reactor fuel. An evaluation of nuclear fuel pin heat transfer in the FRAPCON-3.4 and Exnihilo codes for uranium dioxide (UO$_2$) fuel systems was performed, with a focus on the densification stage (2.2 \unitfrac{GWd}{MT(UO$_{2}$)}). In addition, sensitivity studies were performed to evaluate the effect of the radial power shape and approximations to the geometry to account for the thermocouple hole. The analysis demonstrated excellent agreement for rods 1, 2, 3, and 5 (varying gap thicknesses and density with traditional fuel), demonstrating the accuracy of the codes and their underlying material models for traditional fuel. For rod 6, which contained unstable fuel that densified an order of magnitude more than traditional, stable fuel, the magnitude of densification was over-predicted and the temperatures were outside of the experimental uncertainty. The radial power shape within the fuel was shown to significantly impact the predicted centerline temperatures, whereas modeling the fuel at the thermocouple location as either annular or solid was relatively negligible. This has provided an initial benchmarking of the pin heat transfer capability of Exnihilo for UO$_2$ fuel with respect to a well-validated nuclear fuel performance code.

Phillippe, Aaron M↗

A Validation Study of Pin Heat Transfer for MOX Fuel Based on the IFA-597 Experiments

Abstract The IFA-597 (Integrated Fuel Assessment) experiments from the International Fuel Performance Experiments (IFPE) database were designed to study the thermal behavior of mixed oxide (MOX) fuel and the effects of an annulus on fission gas release in light-water-reactor fuel. An evaluation of nuclear fuel pin heat transfer in the FRAPCON-3.4 and Exnihilo codes for MOX fuel systems was performed, with a focus on the first 20 time steps ( 6 GWd/MT(iHM)) for explicit comparison between the codes. In addition, sensitivity studies were performed to evaluate the effect of the radial power shape and approximations to the geometry to account for the thermocouple hole, dish, and chamfer. The analysis demonstrated relative agreement for both solid (rod 1) and annular (rod 2) fuel in the experiment, demonstrating the accuracy of the codes and their underlying material models for MOX fuel, while also revealing a small energy loss artifact in how gap conductance is currently handled in Exnihilo for chamfered fuel pellets. The within-pellet power shape was shown to significantly impact the predicted centerline temperatures. This has provided an initial benchmarking of the pin heat transfer capability of Exnihilo for MOX fuel with respect to a well-validated nuclear fuel performance code.

Phillippe, Aaron M↗

Adaptive Implicit Non-Equilibrium Radiation Diffusion

We describe methods for accurate and efficient long term time integra- tion of non-equilibrium radiation diffusion systems: implicit time integration for effi- cient long term time integration of stiff multiphysics systems, local control theory based step size control to minimize the required global number of time steps while control- ling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton-Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

Philip, Bobby↗

Multiphysics Simulations for LWR Analysis

Accurate prediction of the neutron and temperature distributions within an operating nuclear reactor requires the solution of multiple coupled physics equations. In a light water reactor (LWR), there is a very strong coupling between the power distribution (governed by the radiation transport equation) and the temperature and density distributions (governed by a thermal diusion equation in combination with a fluid flow model). This study aims to begin to quantify the impact of such feedback mechanisms as well as identify numerical diculties associated with such multiphysics problems. A description of the multiphysics model and current solution strategy within the Exnihilo code package will be presented, along with numerical results for a representative 3 3 PWR mini-assembly.

multi-physics↗