Computational Materials Science
Simulation of materials is an essential tool for predicting the behavior of materials without requiring explicit experimentation. These kinds of tools will help develop the next generation of designer materials enabling new and innovative products in the future. One key feature of many continuum models for materials is the existence of a sharp interface between different materials, different grain orientations, or different material phases, all of which play a role in the resulting properties of the material being studied. This makes materials simulations a natural place to employ the Level Set Method.
The Chopp group has developed algorithms for solving challenging computational problems in materials processing. The image to the left illustrates a model that studies Ostwald ripening on a single atomic layer facet of a crystal. The images on the left are from experiment and the images on the right are the simulation results.
Papers in Computational Materials Science
Materials Science Articles
| Author(s) | Title/Journal | Year |
|---|---|---|
| R. Duddu, D. L. Chopp, and P. Voorhees | Diffusional Evolution of Precipitates in Elastic Media Using the Extended Finite Element and the Level Set Methods, Journal of Computational Physics, 230(4):1249-1264 | 2011 |
| A. Tongen and D. L. Chopp | Simulation of multigrain thin film growth. Interfaces and Free Boundaries, 8:1-19 | 2006 |
| S. Kodambaka, D. L. Chopp, I. Petrov, and J. E. Greene | Coalescence kinetics of two-dimensional TiN islands on atomically-smooth TiN(001) and TiN(111) terraces. Surface Science, 540(2-3):L611-L616 | 2003 |
| F. H. Baumann, D. L. Chopp, G. H. Gilmer, J. E. Greene, H. Huang, S. Kodambaka, P. O'Sullivan, and T. Diaz de la Rubia | Multi-scale modelling of thin film deposition: Applications to Si device processing, Materials Research Society Bulletin, 26(3), | 2001 |
| D. L. Chopp | A level-set method for simulating island coarsening. Journal of Computational Physics, 162:104-122 | 2000 |