Programs in Physics & Physical Chemistry
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|Manuscript Title: Computer modelling of grain microstructure in three dimensions.|
|Authors: K. Lakshmi Narayan|
|Program title: MIKROGRAF|
|Catalogue identifier: ADBM_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 93(1996)136|
|Programming language: C, C++.|
|Computer: Sun 4.0 Solaris.|
|Operating system: UNIX.|
|RAM: 1100K words|
|Word size: 32|
|Peripherals: graph plotter.|
|Keywords: Solid state physics, Experiment, Johnson-mehl model, Voronoi polyhedra, Nucleation, Monte carlo method, Stereology, Microstructure, Tesselations.|
Nature of problem:
Calculation of quantities of stereological interest, such as statistical distributions of surface areas, grain sizes, aspect ratios, perimeters, number of nearest neighbours and volumes of the individual particles as observed in a microscope and graphical simulation of a typical 2D micrograph.
The program performs a pixel by pixel scan over a cubical lattice of a specimen transformed by the Johnson-Mehl mechanism. Assuming instantaneous nucleation and isotropic growth in a Voronoi model, the program maps out locations of grain interstices. Using these co-ordinates for the boundaries, the program calculates a statistical distribution for surface areas, grain sizes, aspect ratios, perimeters and volumes of the component particles.
The default maximum number of permissible particles in the matrix is 1000 and the matrix itself is chosen as a 100*100*100 system. The number of particles is easily changed at the cost of 10 kB memory per additional particle.
The program uses C/C++ and X-Windows for graphics
The running time strongly depends on the matrix size as well as the number of particles fed in. For the aforementioned case, it consumes about 30 minutes to completion on a SUN-Solaris system for a single iteration.
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