Capabilities

Generating 2-dimensional grains

Grain growth simulation

1. Verify Zener equation
2. study the effect of particle distributions
3. study the effect of particle morphologies
4. study the effect of temperature distribution
5. study the effect of boundary conditions (being worked on)
6. study the effect of domain shape (currently rectangle and square only. Others are being worked on)
7. study the effect of sampling anisotropies
8. cryst. miso. based GS evolution (being worked on)
9. Growth of equivalent Voronoi tessellations

Grain structure morphology development

1. Ising type GS
2. equi-axed GS
3. extruded type GS
4. rolled type GS
5. gradient GS
6. grains with smooth GB
7. grains with tortuous GB
8. Independent Voronoi tessellated (VT) GS: Currently, only 2D is available. Three types of lattices are possible, and these are random, rectangular and triangular. Together, they allow Voronoi tessellated random, rectangular and hexagonal grains respectively. Number of grains, size of grains, and aspect ratio of grains can be generated. Hexagonal grains with zigzag or armchair chirality may be generated. Rectangular grains can be made square grains as well, as the latter is subset of former. Long edge of a rectangular grain can be made to align either with x or y. These changes can be introduced by giving different values to a set of defining parameters for each case. A gradient may also be introduced if desired in each of these cases. Values of these parameters to obtain the grain structures have been detailed HERE
9. MC derived equivalent VT GS

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Analysis of 2-dimensional grain structure

Using mtex

1. All grain structure analysis capabilities of mtex could be expolited.

Using PXO

1. Rapid estimation of intercept grain sizes
2. Frontal algorithm based grain area identification and grain structure segmentation into grains
3. Orientation based grain size statistics

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Grain structure export format

1. .CTF format: Up and running for 2 phases.
2. .JSON format: Being worked on.
3. .INP format: Voronoi tessellation based GS: PXO-matlab to PXO-python to ABAQUS to .INP file

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Texture/orientation mapping to grain structure

Using mtex and PXO

1. can use model texture
2. can use experimentally derived texture

Using PXO

1. can use EBSD orientation data export
2. can sample orientations from CTF file from EBSD data export (being worked on)

Space partitioning

1. complex binary space partition which evolves tempoally in state-space
2. Compelx space partitions having centroidal and boundary mobility.