Materials Algorithms Project
Program Library
Subroutine MAP_STEEL_DIFFRACT_AUSTENITE
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Saurabh Kundu and H. K. D. H. Bhadeshia
Materials Science and Metallurgy, University of Cambridge, U. K.
Email: saurabhkn@yahoo.com
Added to MAP: May, 2007.
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Calculation of Debye Xray diffraction rings for 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 (gammaJalpha).
 Following the Bragg law expressed in reciprocal space, this program gives the diffraction rings due to polycrystalline austenite exposed to a beam of Xrays.
 Austenite may or may not be textured. The program takes this as input.
 The diffraction rings can indicate the crystallographic texture of the austenite
 The incident beam is assumed to be parallel to the Zaxis in the sample reference frame.
 The axis of stress in the austenite phase is assumed to be in the direction of Xaxis in the sample reference frame.
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
0
FOR (200) POLE FIG PUT 200 :
FOR (111) POLE FIG PUT 111 :
FOR (220) POLE FIG PUT 220 :
200
HOW MANY GRAINS?
1000
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, crystallography
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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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