Hierarchical Multi-Scale Modeling of Surface Pattern Formation Resulting From Complex Particle-Particle Interactions

Monday, November 8, 2010: 2:36 PM
Grand Ballroom I (Salt Palace Convention Center)
Nasser Mohieddin Abukhdeir and Dion G. Vlachos, Chemical Engineering, University of Delaware, Newark, DE

The development of advanced functional materials frequently involves the formation of patterns and structures on multiple scales. The ability to predict, prototype, and optimize these multi-scale functional materials is a key enabler for many next-generation technologies ranging from microelectronics to catalytic materials. Recently developed mesoscopic models have enabled multi-scale hierarchical stochastic (Monte Carlo) and continuum simulation of the complex surface pattern formation processes involved in the manufacture of these functional materials.

In this work, pattern formation on a surface is simulated using a deterministic mesoscopic diffusion model where short-range attractive and long-range repulsive interactions are present. The transition mechanisms and pattern structure are studied using different dynamics (Metropolis and Arrhenius) and particle-particle interaction potentials (Guassian and Yukawa). The pattern evolution mechanisms predicted by this model are compared to relevant experimental systems, including recent observations of surface self-assembly in block copolymer and colloidal systems. Online/concurrent order reconstruction techniques are used to quantify the evolution of pattern quality (feature size, variation, and long-range order) during simulation.

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See more of this Session: Nanostructured Thin Films II
See more of this Group/Topical: Materials Engineering and Sciences Division