Parallel Anisotropic Unstructured Grid Adaptation

Computational Fluid Dynamics (CFD) has become critical to the design and analysis of aerospace vehicles. Parallel grid adaptation that resolves multiple scales with anisotropy is identified as one of the challenges in the CFD Vision 2030 Study to increase the capacity and capability of CFD simulation. The Study also cautions that computer architectures are undergoing a radical change and dramatic increases in algorithm concurrency will be required to exploit full performance. This paper reviews four different methods to parallel anisotropic grid generation. They cover both ends of the spectrum: (i) using existing state-of-the-art software optimized for a single core and modifying it for parallel platforms and (ii) designing and implementing scalable software with incomplete, but rapidly maturating functionality. A brief overview for each grid adaptation system is presented in the context of a telescopic approach for multilevel concurrency. These methods employ different approaches to enable parallel execution, which provides a unique opportunity to illustrate the relative behavior of each approach. Qualitative and quantitative metric evaluations are used to draw lessons for future developments in this critical area for parallel CFD simulation

3D Phase-Field Simulations Explain Experimental Observations of Structure Formation in Ice-Templated Materials

Freeze casting is a promising processing technique that provides a means to mimic natural materials with hierarchical designs over several length-scales with biomedical applications. Directional solidification of ceramic-based suspensions in water. 3D quantitative phase-field simulation with massive parallel computing at the experimentally relevant time and length scales. Objective and Approach: Qualitative comparisons between phase-field simulations and freeze casting experiments to understand top hierarchical levels in the freeze-cast material

Bulk inhomogeneous phases of anisotropic particles: A fundamental measure functional study of the restricted orientations model

The phase diagram of prolate and oblate particles in the restricted orientations approximation (Zwanzig model) is calculated. Transitions to different inhomogeneous phases (smectic, columnar, oriented, or plastic solid) are studied through minimization of the fundamental measure functional (FMF) of hard parallelepipeds. The study of parallel hard cubes (PHC's) as a particular case is also included motivated by recent simulations of this system. As a result a rich phase behavior is obtained which include, apart from the usual liquid crystal phases, a very peculiar phase (called here discotic smectic) which was already found in the only existing simulation of the model, and which turns out to be stable because of the restrictions imposed on the orientations. The phase diagram is compared at a qualitative level with simulation results of other anisotropic particle systems.Comment: 11 pages, 10 figure

Deterministic Parallel Global Parameter Estimation for a Model of the Budding Yeast Cell Cycle

Two parallel deterministic direct search algorithms are used to find improved parameters for a system of differential equations designed to simulate the cell cycle of budding yeast. Comparing the model simulation results to experimental data is difficult because most of the experimental data is qualitative rather than quantitative. An algorithm to convert simulation results to mutant phenotypes is presented. Vectors of parameters defining the differential equation model are rated by a discontinuous objective function. Parallel results on a 2200 processor supercomputer are presented for a global optimization algorithm, DIRECT, a local optimization algorithm, MADS, and a hybrid of the two

On the suitability of the connection machine for direct particle simulation

The algorithmic structure was examined of the vectorizable Stanford particle simulation (SPS) method and the structure is reformulated in data parallel form. Some of the SPS algorithms can be directly translated to data parallel, but several of the vectorizable algorithms have no direct data parallel equivalent. This requires the development of new, strictly data parallel algorithms. In particular, a new sorting algorithm is developed to identify collision candidates in the simulation and a master/slave algorithm is developed to minimize communication cost in large table look up. Validation of the method is undertaken through test calculations for thermal relaxation of a gas, shock wave profiles, and shock reflection from a stationary wall. A qualitative measure is provided of the performance of the Connection Machine for direct particle simulation. The massively parallel architecture of the Connection Machine is found quite suitable for this type of calculation. However, there are difficulties in taking full advantage of this architecture because of lack of a broad based tradition of data parallel programming. An important outcome of this work has been new data parallel algorithms specifically of use for direct particle simulation but which also expand the data parallel diction

Characterization and Modeling of Non-Uniform Charge Collection in CVD Diamond Pixel Detectors

A pixel detector with a CVD diamond sensor has been studied in a 180 GeV/c pion beam. The charge collection properties of the diamond sensor were studied as a function of the track position, which was measured with a silicon microstrip telescope. Non-uniformities were observed on a length scale comparable to the diamond crystallites size. In some regions of the sensor, the charge drift appears to have a component parallel to the sensor surface (i.e., normal to the applied electric field) resulting in systematic residuals between the track position and the hits position as large as 40 $\mu$m. A numerical simulation of the charge drift in polycrystalline diamond was developed to compute the signal induced on the electrodes by the electrons and holes released by the passing particles. The simulation takes into account the crystallite structure, non-uniform trapping across the sensor, diffusion and polarization effects. It is in qualitative agreement with the data. Additional lateral electric field components result from the non-uniform trapping of charges in the bulk. These provide a good explanation for the large residuals observed.Comment: Accepted by Nucl. Instr. and Met

The effect of Mach number on unstable disturbances in shock/boundary-layer interactions

The effect of Mach number on the growth of unstable disturbances in a boundary layer undergoing a strong interaction with an impinging oblique shock wave is studied by direct numerical simulation and linear stability theory (LST). To reduce the number of independent parameters, test cases are arranged so that both the interaction location Reynolds number (based on the distance from the plate leading edge to the shock impingement location for a corresponding inviscid flow) and the separation bubble length Reynolds number are held fixed. Small-amplitude disturbances are introduced via both white-noise and harmonic forcing and, after verification that the disturbances are convective in nature, linear growth rates are extracted from the simulations for comparison with parallel flow LST and solutions of the parabolized stability equations (PSE). At Mach 2.0, the oblique modes are dominant and consistent results are obtained from simulation and theory. At Mach 4.5 and Mach 6.85, the linear Navier-Stokes results show large reductions in disturbance energy at the point where the shock impinges on the top of the separated shear layer. The most unstable second mode has only weak growth over the bubble region, which instead shows significant growth of streamwise structures. The two higher Mach number cases are not well predicted by parallel flow LST, which gives frequencies and spanwise wave numbers that are significantly different from the simulations. The PSE approach leads to good qualitative predictions of the dominant frequency and wavenumber at Mach 2.0 and 4.5, but suffers from reduced accuracy in the region immediately after the shock impingement. Three-dimensional Navier-Stokes simulations are used to demonstrate that at finite amplitudes the flow structures undergo a nonlinear breakdown to turbulence. This breakdown is enhanced when the oblique-mode disturbances are supplemented with unstable Mack modes