Efficient and robust constitutive integrators for single-crystal plasticity modeling

Simulations of the dynamic deformations of metal samples require elastic-plastic constitutive updates of the material behavior to be performed over a small time step between updates, as dictated by the Courant condition. Depending on the deformation conditions, the converged time step becomes short (~$10^{-9} s$ or less). If an implicit constitutive update is applied to this class of simulation, the benefit of the implicit update is negated, and the integration is prohibitively slow. The present work recasts an implicit update algorithm into an explicit form, for which each update step is five to six times faster, and the compute time required for a plastic update approaches that needed for a fully-elastic update. For dynamic loading conditions, the explicit model is found to perform an entire simulation up to 50 times faster than the implicit model. The performance of the explicit model is enhanced by adding a subcycling algorithm to the explicit model, by which the maximum time step between constitutive updates is increased an order of magnitude. These model improvements do not significantly change the predictions of the model from the implicit form, and provide overall computation times significantly faster than the implicit form over finite-element meshes. These modifications are also applied to polycrystals via Taylor averaging, where we also see improved model performance.Comment: 27 pages, 21 figure

Diffuse interface models of locally inextensible vesicles in a viscous fluid

We present a new diffuse interface model for the dynamics of inextensible vesicles in a viscous fluid. A new feature of this work is the implementation of the local inextensibility condition in the diffuse interface context. Local inextensibility is enforced by using a local Lagrange multiplier, which provides the necessary tension force at the interface. To solve for the local Lagrange multiplier, we introduce a new equation whose solution essentially provides a harmonic extension of the local Lagrange multiplier off the interface while maintaining the local inextensibility constraint near the interface. To make the method more robust, we develop a local relaxation scheme that dynamically corrects local stretching/compression errors thereby preventing their accumulation. Asymptotic analysis is presented that shows that our new system converges to a relaxed version of the inextensible sharp interface model. This is also verified numerically. Although the model does not depend on dimension, we present numerical simulations only in 2D. To solve the 2D equations numerically, we develop an efficient algorithm combining an operator splitting approach with adaptive finite elements where the Navier-Stokes equations are implicitly coupled to the diffuse interface inextensibility equation. Numerical simulations of a single vesicle in a shear flow at different Reynolds numbers demonstrate that errors in enforcing local inextensibility may accumulate and lead to large differences in the dynamics in the tumbling regime and differences in the inclination angle of vesicles in the tank-treading regime. The local relaxation algorithm is shown to effectively prevent this accumulation by driving the system back to its equilibrium state when errors in local inextensibility arise.Comment: 25 page

Large-Eddy Simulations of Flow and Heat Transfer in Complex Three-Dimensional Multilouvered Fins

The paper describes the computational procedure and results from large-eddy simulations in a complex three-dimensional louver geometry. The three-dimensionality in the louver geometry occurs along the height of the fin, where the angled louver transitions to the flat landing and joins with the tube surface. The transition region is characterized by a swept leading edge and decreasing flow area between louvers. Preliminary results show a high energy compact vortex jet forming in this region. The jet forms in the vicinity of the louver junction with the flat landing and is drawn under the louver in the transition region. Its interaction with the surface of the louver produces vorticity of the opposite sign, which aids in augmenting heat transfer on the louver surface. The top surface of the louver in the transition region experiences large velocities in the vicinity of the surface and exhibits higher heat transfer coefficients than the bottom surface.Air Conditioning and Refrigeration Project 9

Aerated blast furnace slag filters for enhanced nitrogen and phosphorus removal from small wastewater treatment plants

Rock filters (RF) are a promising alternative technology for natural wastewater treatment for upgrading WSP effluent. However, the application of RF in the removal of eutrophic nutrients, nitrogen and phosphorus, is very limited. Accordingly, the overall objective of this study was to develop a lowcost RF system for the purpose of enhanced nutrient removal from WSP effluents, which would be able to produce effluents which comply with the requirements of the EU Urban Waste Water Treatment Directive (UWWTD) (911271lEEC) and suitable for small communities. Therefore, a combination system comprising a primary facultative pond and an aerated rock filter (ARF) system-either vertically or horizontally loaded-was investigated at the University of Leeds' experimental station at Esholt Wastewater Treatment Works, Bradford, UK. Blast furnace slag (BFS) and limestone were selected for use in the ARF system owing to their high potential for P removal and their low cost. This study involved three major qperiments: (1) a comparison of aerated vertical-flow and horizontal-flow limestone filters for nitrogen removal; (2) a comparison of aerated limestone + blast furnace slag (BFS) filter and aerated BFS filters for nitrogen and phosphorus removal; and (3) a comparison of vertical-flow and horizontal-flow BFS filters for nitrogen and phosphorus removal. The vertical upward-flow ARF system was found to be superior to the horizontal-flow ARF system in terms of nitrogen removal, mostly thiough bacterial nitrification processes in both the aerated limestone and BFS filter studies. The BFS filter medium (whieh is low-cost) showed a much higher potential in removing phosphortls from pond effluent than the limestone medium. As a result, the combination of a vertical upward-flow ARF system and an economical and effective P-removal filter medium, such as BFS, was found to be an ideal optionfor the total nutrient removal of both nitrogen and phosphorus from wastewater. In parallel with these experiments, studies on the aerated BFS filter effective life and major in-filter phosphorus removal pathways were carried out. From the standard batch experiments of Pmax adsorption capacity of BFS, as well as six-month data collection of daily average P-removal, it was found that the effective life of the aerated BFS filter was 6.5 years. Scanning electron microscopy and X-ray diffraction spectrometric analyses on the surface of BFS, particulates and sediment samples revealed that the apparent mechanisms of P-removal in the filter are adsorption on the amorphous oxide phase of the BFS surface and precipitation within the filter

Devito: Towards a generic Finite Difference DSL using Symbolic Python

Domain specific languages (DSL) have been used in a variety of fields to express complex scientific problems in a concise manner and provide automated performance optimization for a range of computational architectures. As such DSLs provide a powerful mechanism to speed up scientific Python computation that goes beyond traditional vectorization and pre-compilation approaches, while allowing domain scientists to build applications within the comforts of the Python software ecosystem. In this paper we present Devito, a new finite difference DSL that provides optimized stencil computation from high-level problem specifications based on symbolic Python expressions. We demonstrate Devito's symbolic API and performance advantages over traditional Python acceleration methods before highlighting its use in the scientific context of seismic inversion problems.Comment: pyHPC 2016 conference submissio