Carnegie Mellon Computational Materials Science

Overview

This page hosts a collection of projects maintained by the computational materials science group at Carnegie Mellon University. Current and future projects focus on digital microstructure generation, evolution, and analysis, as well as various subroutines and scripts for crystallographic texture analysis and data visualization.

Please check back regularly for project updates.

Projects

Mesoscale Microstructure Simulation Package (MMSP)
The goal of MMSP is to provide a simple, consistent, and extensible programming interface for all grid– and mesh-based microstructure evolution methods. Simple means that the package has a very small learning curve, and for most routine simulations, only a minimal amount of code must be written. By consistent we mean, for example, that 2D simulation code is nearly identical to that for 3D simulations, single processor programs are easily parallelized, and fundamentally different methods like Monte Carlo or phase field have the same "look and feel." Finally, extensible means that it’s straightforward to add new grid types or physical behaviors to the package. Other considerations include efficiency, and to a lesser extent, portability.

Language: C++

Download Tarball:
MMSP is under major redevelopment and will be available again shortly.
View Source:
MMSP is under major redevelopment and will be available again shortly.

Project Administrator: Jason Gruber, Department of Materials Science and Engineering, Carnegie Mellon University


PGG-3D: Parallel Grain Growth 3D
PGG-3D is a synchronous parallel grain growth code that uses the classical Potts model to simulate material microstructure. It was originally designed for nCUBE and Intel machines, but has been tested on various supercomputer and Beowulf architectures. The novelty of PGG-3D lies in its checkerboard and sublattice decomposition technique. The source has been modified to incorporate anisotropic grain boundary properties which are a function of the misorientation angle between two dissimilar grains. The default functions adhere to the Read-Shockley dislocation model. In addition, grain growth stagnation (Zener pinning) can be studied using this software. Last, a toolkit has been included for the standard post-processing data analysis and visualization.

Language: Fortran 90

Download Tarball:
http://www.matforge.org/cmu/browser/public/PGG_3D/PGG_3D_0.1.0/PGG_3D_0.1.0.tar.gz
View Source:
http://www.matforge.org/cmu/browser/public/PGG_3D

Project Administrator: Christopher Roberts, Department of Materials Science and Engineering, Carnegie Mellon University

Links

Carnegie Mellon University Department of Materials Science and Engineering
http://neon.materials.cmu.edu/

Carnegie Mellon MRSEC
http://mimp.materials.cmu.edu/