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Materials Algorithms Project
Program Library


Program MAP_STEEL_RANDOM_ORIENTATION

  1. Provenance of code.
  2. Purpose of code.
  3. Specification.
  4. Description.
  5. References.
  6. Parameter descriptions.
  7. Error indicators.
  8. Accuracy estimate.
  9. Any additional information.
  10. Example
  11. Auxiliary routines required.
  12. Keywords.
  13. Sources.

1. Provenance of Source Code

Min Sung Joo
Graduate Institute of Ferrous Technology (GIFT)
Pohang University of Science and Technology
Pohang, Kyoungbuk, Republic of Korea

athpimo@postech.ac.kr

Added to MAP: April 2012.

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2. Purpose of code

Consider a polycrystalline material containing a random distribution of 10,000 grains, each with a cubic lattice. This program permits the calculation of the fraction of grains which have a specific orientation relative to an external frame of reference.

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3. Specification

Language: C
Product form: Source code for UNIX/Linux machines.

Complete program.

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4. Description

The computer program to investigate the number of grains having specific orientation. The result is the hypothetical fraction of the grains. This program is only for crystals with a cubic lattice.

Only ‘random_orientation.c’ file exists.

random_orientation.c

C program used to get the fraction of grains having specific orientation among 10,000 randomly generated grains.


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5. References

  1. MinSung Joo, 2012, Anisotropy of Charpy Properties in Linepipe Steels, Ph.D Thesis, POSTECH.
  2. H. K. D. H. Bhadeshia, 2001, Worked examples in the Geometry of Crystals, 2nd ed., The institute of Metals, London, UK.
  3. Mackenzie, J. K., 1958, Second Paper on the Statistics Associated with the Random Disorientation of Cubes, Biometrika, vol. 45, p. 229.
  4. D. N. Lee, 2006, TEXTURE AND RELATED PHENOMENA, The Korean Institute of Metals and Materials.

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6. Parameter descriptions

Input parameters

After executing the program, the user needs to input four numbers.

pi1 pi1 value for the specific orientation.
cpi cpi value for the specific orientation.
pi2 pi2 value for the specific orientation.
tolerance angle tolerance angle for the specific orientation.


The following definition in the source code can be changed if user needs to control the number of grains in the simulation.

#define NUM_CRYSTAL the number of randomly generated grains.


(Optional)
When executing the program, if user inputs any character followed the program then the user can get the ‘random.out’ file which has counts for each disorientations in the range of 0°~360° from randomly generated grains. Therefore, the user can check the randomness of the grains and make a graph so called the Mackenzie plot. For example,

Executable any_charater_or_parameter

Output parameters

The user can see the results from the screen.

Total number of grains Simply prints out the total number of grains in the simulation.
Total number of grains within misorientation Print the number of grains having specific orientation within used tolerance angle.
Fraction The fraction of grains having specific orientation.


(Optional)

random.out The output file which contains the counts for each disorientations in the range of 0°~360° from randomly generated grains.

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7. Error Indicators

If the user has input the wrong value for pi1, cpi, pi2 and tolerance angle, than the program will exit.

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8. Accuracy estimate

None.

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9. Any additional information

None.

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10. Example

1. Program text

Executable

2. Program data

pi1: 0
cpi: 0
pi2: 15
tolerance angle: 11.25

3. Program results

(Case 1)
$ executable
WELCOME!
Please input the Euler angles to investigate.
pi1: 0
The input value was: 0.000000
cpi: 0
The input value was: 0.000000
pi2: 15
The input value was: 15.000000
Please input the tolerance angle for the Euler angles.
Tolerance angle: 11.25
The input value was: 11.250000
Total number of grains : 10000
Total number of grains within misorientation : 269
Fraction : 0.026900
(Case 2)
$ executable disorientation

WELCOME!
Please input the Euler angles to investigate.
pi1: 0
The input value was: 0.000000
cpi: 0
The input value was: 0.000000
pi2: 15
The input value was: 15.000000
Please input the tolerance angle for the Euler angles.
Tolerance angle: 11.25
The input value was: 11.250000
Total number of grains : 10000
Total number of grains within misorientation : 269
Fraction : 0.026900

random.out file was generated.

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11. Auxiliary subroutines required

None.

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12. Keywords

Mackenzie plot, Disorientaiton, Misorientation

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13. Source

Download source code

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MAP originated from a joint project of the National Physical Laboratory and the University of Cambridge.

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