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Constrained optimization framework for interface-aware sub-scale dynamics discrete closure model for multimaterial cells in Lagrangian cell-centered hydrodynamics

In this paper, we present the new discrete optimization-based interface-aware sub-scale dynamics (IA-SSD) closure model for multimaterial cells for Lagrangian cell-centered hydrodynamics. For the multimaterial cell, the kinematic and thermodynamic properties (e.g., velocity, density, pressure and internal energy) will typically vary between the materials. The discrete closure model is responsible for an accurate update of the thermodynamic states of the individual material components in the multimaterial cell, and for determining the nodal forces that move the vertices of the cell. The IA-SSD closure model consists of two stages — a bulk stage followed by a sub-scale stage. During the bulk stage, the total change in the volume of the cell, total force applied to the cell, and total work done on the cell are distributed between the materials to update their volume, velocity and total energy. This distribution is performed using volume fractions of the materials. During the second stage, sub-scale interactions of the materials inside the multimaterial cell are taken into account. At this stage, information about the topology of the materials inside the multimaterial cell is used, allowing the orientations of internal interfaces to be included in the model. Each material interacts in a pair-wise fashion with the materials with which it has a common boundary. The interactions are based on the solution of the acoustic Riemann problem between each pair of materials and are limited using physically justified constraints: positivity of volume, positivity of internal energy, and controlled rate of pressure relaxation. To determine the values of the limiter coefficients, a constrained-optimization framework is employed using a quadratic objective function with linear constraints. It is a first-of-its kind application of constrained optimization to develop discrete closure models in a more rigorous fashion. The pair-wise interaction between materials is essentially one dimensional in the direction that is normal to interface. Finally, for this reason, we demonstrate in this paper the performance of our new model on one dimensional numerical examples.

97 MATHEMATICS AND COMPUTING↗

Constrained optimization framework for interface-aware sub-scale dynamics models for voids closure in Lagrangian hydrodynamics

In hydrocodes, voids are used to represent vacuum and model free boundaries between vacuum and real materials. We give a systematic description of a new treatment of void closure in the framework of the multimaterial arbitrary Lagrangian–Eulerian (ALE) methods. This includes a new formulation of the interface-aware sub-scale-dynamics (IA-SSD) closure model for multimaterial cells with voids, which is used in the Lagrangian stage of our indirect ALE scheme. The results of the comprehensive testing of the new model are presented for one- and two-dimensional multimaterial calculations in the presence of voids. Finally, we also present a sneak peek of a realistic shaped charge calculation in the presence of voids and solids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Some New Verification Test Problems for Multimaterial Diffusion on Meshes that are Non-Aligned with Material Boundaries

In this report a number of new verification test problems for multimaterial diffusion will be shown. Using them we will show that homogenization of multimaterial cells in either Arbitrary Lagrangian Eulerian (ALE) or Eulerian simulations can lead to errors in the energy flow at the interfaces. Results will be presented that show that significant improvements and predictive capability can be gained by using either a surrogate supermesh, such as Thin Mesh in FLAG, or the emerging method based on Static Condensation.

36 MATERIALS SCIENCE↗

Organizing Cells Within Non-Periodic Microarchitectured Materials That Achieve Graded Thermal Expansions

The aim of this paper is to introduce an approach for optimally organizing a variety of different unit cell designs within a large lattice such that the bulk behavior of the lattice exhibits a desired Young’s modulus with a graded change in thermal expansion over its geometry. This lattice, called a graded microarchitectured material, can be sandwiched between two other materials with different thermal expansion coefficients to accommodate their different expansions or contractions caused by changing temperature while achieving a desired uniform stiffness. First, this paper provides the theory necessary to calculate the thermal expansion and Young’s modulus of large multi-material lattices that consist of periodic (i.e., repeating) unit cells of the same design. Then it introduces the theory for calculating the graded thermal expansions of a large multimaterial lattice that consists of non-periodic unit cells of different designs. An approach is then provided for optimally designing and organizing different unit cells within a lattice such that both of its ends achieve the same thermal expansion as the two materials between which the lattice is sandwiched. A MATLAB tool is used to generate images of the undeformed and deformed lattices to verify their behavior and various examples are provided as case studies. The theory provided is also verified and validated using finite element analysis and experimentation.

Young’s modulus↗

Hierarchical Composites Patterned via 3D Printed Cellular Fluidics

Additive manufacturing of freeform structures containing multiple materials with deterministic spatial arrangement and interactions remains a challenge for most 3D printing processes, due to complex fabrication tool requirements and limitations in printability of some material classes. Here, in this paper, a versatile method is reported to produce architected composites using the concept of cellular fluidics, in which lattices of unit cells are used as templating scaffolds to guide flowable infill materials in a programmed spatial pattern, upon which they are cured in place to produce a deterministically ordered multimaterial solid. The lattice design relies on the unit cell size, type, strut diameter, surface wetting, and distribution of cellular structures to control liquid flow and retention. Individual unit cells are tuned to achieve reliable infilling and combined into higher-order architectures to achieve multiscale composite materials with disparate mechanical properties, including those considered non-printable. Lattice design considerations for leveraging capillary phenomena and demonstrate several methods of patterning polymers in 3D-printed cellular fluidic structures are presented. The concept of tuning the compressive response of an architected composite using a flexible-elastomer as the lattice and a stiff-epoxy as the infill material is illustrated.

36 MATERIALS SCIENCE↗

Filament capturing with the Multimaterial Moment-of-Fluid method

A novel method for capturing two-dimensional, thin, under-resolved material configurations, known as “filaments,” is presented in the context of interface reconstruction. This technique uses a partitioning procedure to detect disconnected regions of material in the advective preimage of a cell (indicative of a filament) and makes use of the existing functionality of the Multimaterial Moment-of-Fluid interface reconstruction method to accurately capture the under-resolved feature, while exactly conserving volume. An algorithm for Adaptive Mesh Refinement in the presence of filaments is developed so that refinement is introduced only near the tips of filaments and where the Moment-of-Fluid reconstruction error is still large. Comparison to the standard Moment-of-Fluid method is made. It is demonstrated that using filament capturing at a given resolution yields gains in accuracy comparable to introducing an additional level of mesh refinement at significantly lower cost.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Arbitrary Lagrangian–Eulerian methods for modeling high-speed compressible multimaterial flows

This paper reviews recent developments in Arbitrary Lagrangian Eulerian (ALE) methods for modeling high speed compressible multimaterial flows in complex geometry on general polygonal meshes. We only consider the indirect ALE approach which consists of three key stages: a Lagrangian stage, in which the solution and the computational mesh are updated; a rezoning stage, in which the nodes of the computational mesh are moved to improve grid quality; and a remapping stage, in which the Lagrangian solution is transferred to the rezoned mesh.

97 MATHEMATICS AND COMPUTING↗

Incompressible multiphase flow and encapsulation simulations using the moment-of-fluid method

A moment-of-fluid method is presented for computing solutions to incompressible multiphase flows in which the number of materials can be greater than two. In this work, the multimaterial moment-of-fluid interface representation technique is applied to simulating surface tension effects at points where three materials meet. The advection terms are solved using a directionally split cell integrated semi-Lagrangian algorithm, and the projection method is used to evaluate the pressure gradient force term. The underlying computational grid is a dynamic block-structured adaptive grid. The new method is applied to multiphase problems illustrating contact-line dynamics, triple junctions, and encapsulation in order to demonstrate its capabilities. Examples are given in two-dimensional, three-dimensional axisymmetric (R–Z), and three-dimensional (X–Y–Z) coordinate systems.

97 MATHEMATICS AND COMPUTING↗

A cell-centered AMR-ALE framework for 3D multi-material hydrodynamics. Part I: Lagrangian and indirect Euler AMR algorithms

Many applications of physics and engineering involve wide ranges of time and spatial scales. The numerical simulation of localized small scales such as shock waves and material interfaces requires a large number of computational cells in these regions. For these applications, Lagrangian and Arbitrary-Lagrangian-Eulerian (ALE) related methods are engaging since the moving mesh feature naturally brings mesh cells on shock discontinuities and material interfaces are carefully captured. In addition, Adaptive-Mesh-Refinement (AMR) strategies aim to optimize computational resources by concentrating finer mesh cells only in areas of interest while using coarser cells elsewhere. A key but challenging AMR requirement consists in efficiently distributing the computational effort to achieve high accuracy without the prohibitive computational costs associated with uniformly fine grids. Here, in this document, the coupling of the p4est AMR library with a cell-centered Lagrangian scheme is presented with the goal to perform reliable 3D Lagrangian-AMR and indirect Euler-AMR multi-material simulations. In particular, it is shown that starting from a 3D indirect ALE code, the memory management and load balancing requirements can be delegated to an external library (here the p4est library) to unlock ALE-AMR capabilities. First, we present a strategy to transcribe the octant-based connectivity of the 3D AMR framework with that of an unstructured mesh of polygonal cells used in Lagrangian hydrodynamics. Then, we show how refinement and coarsening operations must be adapted to the particular Lagrangian framework to ensure the conservation of volume during those steps. Finally, several numerical test cases are presented that demonstrate the capabilities of the Lagrangian-AMR and indirect Euler-AMR algorithms.

3D cell-centered Lagrangian numerical scheme↗

Portable Data-Parallel Surface Reconstruction on a Uniform Rectilinear Grid

With the increasing heterogeneity and on-node parallelism of high-performance computing hardware, a major challenge is to develop portable and efficient algorithms and software. In this work, we present our implementation of a portable code to perform surface reconstruction using NVIDIA's Thrust library. Surface reconstruction is a technique commonly used in volume tracking methods for simulations of multimaterial flow with interfaces. Here, we have designed a 3D mesh data structure that is easily mapped to the 1D vectors used by Thrust and at the same time is simple to use and uses familiar data structure terminology (such as cells, faces, vertices, and edges). With this new data structure in place, we have implemented a piecewise linear interface reconstruction algorithm in 3 dimensions that effectively exploits the symmetry present in a uniform rectilinear computational cell. Finally, we report performance results, which show that a single implementation of these algorithms can be compiled to multiple backends (specifically, multi-core CPUs, NVIDIA GPUs, and Intel Xeon Phi processors), making efficient use of the available parallelism on each. We also compare performance of our implementation to a legacy FORTRAN implementation in Message Passing Interface (MPI) and show performance parity on single and multi-core CPU and achieved good parallel speed-ups on GPU. In conclusion, our research demonstrates the advantage of performance portability of the underlying data-parallel programming model.

97 MATHEMATICS AND COMPUTING↗