Surface Extrapolation by Reverse-Plotting of Energy Trajectories

     SERPENT is a tool for modeling the evolution of crystal shapes and surface energy shapes over time, which may allow for optimization of crystal growth processes and characterization of nanoparticle toxicology. SERPEnT is a software program written (in MATLAB) to extrapolate surface energy shapes (SES) from given equilibrium crystal shapes (ECS) using sets of Bezier control points in three dimensions. SERPEnT is based on the classical Wulff constructions for ECS shape, and functionalizations of the Wulff constructions for modeling evolution of ECS/SES shapes over time. See "Characterization, Simulation, and Modeling of Multiscale Directed-Assembly Systems" (Chapter 2) by Ryan Molecke for a more complete description.

I. Intro to Equilibrium Crystal Shapes and Wulff Constructions
II. Functionalization and Application of the Wulff Constructions
III. SERPEnT plots and Applications
IV. Gallery

Below: visual catalog of Archimedean / Platonic crystal shapes and the corresponding extrapolated surface energy shapes (SERPEnT plots). The "semiconductor" shape correlates to observed surface facetting in semiconductor nanocrystals.

Reproduction of this website's content in full or parts in any kind of medium is strictly prohibited without written consent
Copyright 2010 - 2011 Ryan Molecke - All Rights Reserved