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Materials Algorithms Project
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Subroutine MAP_STEEL_DIFFRACT_FERRITE
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Saurabh Kundu and H. K. D. H. Bhadeshia
Materials Science and Metallurgy, University of Cambridge, U. K.
E-mail: saurabhkn@yahoo.com
Added to MAP: May, 2007.
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Calculation of Debye X-ray diffraction rings for martensite or bainite due to the stress-induced transformation of polycrystalline austenite. The sample may be textured.
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This program has the inputs consisting of the habit planes, displacement direction and the crystallographic orientation (gamma-J-alpha).
- Following the Bragg law expressed in the reciprocal lattice, this program gives the diffraction rings due to martensite or bainite.
- Austenite might or might not be textured. The program takes this as input.
- The difrraction rings are suppose to give a good idea about the texture of the austenite
- The incident beam is assumed to be parallel to the Z-axis in the sample reference frame.
- The axis of stress in the austenite phase is assumed to be parallel with the X-axis in the sample reference frame.
- Note: In this program lattice transformation has to be done twice first using (Gamma J Sample) matrix and then using (Alpha J Gamma) matrix.
Inputs when running the program
WHAT IS THE STARTING TEXTURE OF AUSTENITE:
0=RANDOM
1=COPPER
2=BRASS
3=GOSS
4=CUBE
5={110}<111>
6=MIXTURE
4
HOW MANY VARIANTS WORKING?
8
FIRST ELEMENT OF THE STRESS TENSOR:
200
FOR (200) POLE FIG PUT 200 :
FOR (111) POLE FIG PUT 111 :
FOR (220) POLE FIG PUT 220 :
200
HOW MANY GRAINS?
499
Name
difdfract.for
This is a source code of this program. For the execution, it needs to be compiled.
compile example :
g77 diffract.for -o name.out
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- HABIT# - double precision array of dimension 24X3, # represents numbers.
- Matrix that stores 24 habit planes.
- DIRECTION# - Double precision array of dimension 24X3
- Matrix that stores 24 displacement directions for 24 variants of martensite.
- GM_J_AL# - Double precision array of dimension 72X3.
- It contains 24 matrix representing orientation relationship between martensite and austenite, following Bowles and MacKenzie notation can be written as (gamma J alpha).
- AL_J_GM# - Double precision array of dimension 72X3.
- It contains 24 matrix representing orientation relationship between martensite and austenite, following Bowles and MacKenzie notation can be written as (alpha J gamma).
- AL# - Double precision array of dimension 30X3.
- It stores all the plane indices for plotting pole figure.
- DEF_MAT# - Double precision array of dimension 3X3.
- DEF_MAT# This matrix stores stress tensor of the applied stress in the crystal axis.
- STRESS_TENSOR - Double precision array of dimension 3X3.
- Matrix represents the stress tensor in trhe sample axis.
- TRANS_MATRIX - Double precision array of dimension 3X3.
- Rotational matrix represnting the orientation relationship between any austenite grain with the sample axis.
- X_ST, Y_ST - DOUBLE PRECISION
- X and Y corordinate of any point in the pole figure.
- INS_BEAM# - double precision array of dimension 1X3, # represents numbers.
- Store the incident beam vector.
- DIFF_BEAM# - double precision array of dimension 1X3, # represents numbers.
- Store the diffratced beam vector.
- N# - double precision array of dimension 1X3, # represents numbers.
- Store the vector for normal to the habit plane in reciprocal lattice space.
-
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None.
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No information.
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None.
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1. Program Compile
g77 [sourcecode name] -o [executable file name]
2. Program menu
3. Program data
Auto generated.
4. Program results
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No auxiliary routines
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Transformation texture, martensite, stainless steels, crysttalography
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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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