Explicit Boundary Solutions for Ellipsoidal Particle Packing and Reaction-diffusion Problems

Huanyu Liao, Purdue University

Abstract

Moving boundary problems such as solidification, crack propagation, multi-body contact or shape optimal design represent an important class of engineering problems. Common to these problems are one or more moving interfaces or boundaries. One of the main challenges associated with boundary evolution is the difficulty that arises when the topology of the geometry changes. Other geometric issues such as distance to the boundary, projected point on the boundary and intersection between surfaces are also important and need to be efficiently solved. In general, the present thesis is concerned with the geometric arrangement and behavioral analysis of evolving parametric boundaries immersed in a domain. The first problem addressed in this thesis is the packing of ellipsoidal fillers in a regular domain and to estimate their effective physical behavior. Particle packing problem arises when one generates simulated microstructures of particulate composites. Such particulate composites used as thermal interface materials (TIMs) motivates this work. The collision detection and distance calculation between ellipsoids is much more difficult than other regular shapes such as spheres or polyhedra. While many existing methods address the spherical packing problems, few appear to achieve volume loading exceeding 60%. The packing of ellipsoidal particles is even more difficult than that of spherical particles due to the need to detect contact between the particles. In this thesis, an efficient and robust ultra-packing algorithm termed Modified Drop-Fall-Shake is developed. The algorithm is used to simulate the real mixing process when manufacturing TIMs with hundreds of thousands ellipsoidal particles. The effective thermal conductivity of the particulate system is evaluated using an algorithm based on Random Network Model. In problems where general free-form parametric surfaces (as opposed to the ellipsoidal fillers) need to be evolved inside a regular domain, the geometric distance from a point in the domain to the boundary is necessary to determine the influence of the moving boundary on the underlying domain approximation. Furthermore, during analysis, since the driving force behind interface evolution depends on locally computed curvatures and normals, it is ideal if the parametric entity is not approximated as piecewise-linear. To address this challenge, an algebraic procedure is presented here to find the level sets of rational parametric surfaces commonly utilized by commercial CAD systems. The developed technique utilizes the resultant theory to construct implicit forms of parametric B´ezier patches, level sets of which are termed algebraic level sets (ALS). Boolean compositions of the algebraic level sets are carried out using the theory of R-functions. The algebraic level sets and their gradients at a given point on the domain can also be used to project the point onto the immersed boundary. Beginning with a first-order algorithm, sequentially refined procedures culminating in a second-order projection algorithm are described for NURBS curves and surfaces. Examples are presented to illustrate the efficiency and robustness of the developed method. More importantly, the method is shown to be robust and able to generate valid solutions even for curves and surfaces with high local curvature or G0 continuity—problems where the Newton–Raphson method fails due to discontinuity in the projected points or because the numerical iterations fail to converge to a solution, respectively.

Degree

Ph.D.

Advisors

Subbarayan, Purdue University.

Subject Area

Cellular biology|Developmental biology|Mathematics|Thermodynamics

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