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H.K.D.H. Bhadeshia,
Phase Transformations Group,
Department of Materials Science and Metallurgy,
University of Cambridge,
Cambridge, U.K.
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MAP_CRYSTAL_ED1 performs electron diffraction analysis in cases where the camera constant is known.
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Language: | FORTRAN
|
Product form: | Source code |
SUBROUTINE MAP_CRYSTAL_ED1(F, ACCU, AAA, PI, GV1, GV2, RR, J21,
& JTYPE, AH, AK, AL, AAD, AHH, AKK, ALL, ABD, AU1, AV1, AW1, AAX, JA)
REAL F(9), ACCU, AAA, PI, GV1, GV2, RR, AH(400), AK(400), AL(400),
&AAD(400), AHH(400), AKK(400), ALL(400), ABD(400), AU1(400),
&AV1(400), AW1(400), AAX(400)
INTEGER J21, JTYPE, JA
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MAP_CRYSTAL_ED1 performs electron diffraction analysis for cases where the camera constant
is known. It requires an input of two d-spacings from a pair of reciprocal lattice
vectors and the angle between the two vectors. Calculations are made for a set of
Miller indices which vary within a specified range.
If the camera constant is unknown, then the subroutine MAP_CRYSTAL_ED2
should be used instead.
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- H.K.D.H. Bhadeshia, Worked Examples in the Geometry of Crystals,
Institute of Materials, London, 1987.
- H.K.D.H. Bhadeshia, Chapter on crystallography in Microstructural Characterisation
of High Temperature Materials, ed. E. Metcalfe,
Institute of Metals, London, 1988.
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Input parameters
- F - real array of dimension 9
- F converts components from reciprocal to real space.
- ACCU - real
- ACCU is the accuracy of measurement. A typical value is 0.03. If the input
value of ACCU is greater than 0.08 it is reset to 0.08.
- AAA - real
- AAA is the acute angle between the vectors (in degrees).
- GV1 - real
- GV1 is the measured d-spacing for the first vector (in
Ångstroms).
- GV2 - real
- GV2 is the measured d-spacing for the second vector (in
Ångstroms).
- J21 - integer
- J21 is the maximum range of the Miller index. A typical value is
3.
- JTYPE - integer
- JTYPE denotes the lattice type:-
- JTYPE = 1 is for primitive
- JTYPE = 2 is for body centered (cubic, tetragonal, orthorhombic)
- JTYPE = 3 is for face centered (cubic, orthorhombic)
- JTYPE = 4 is for A-centered (orthorhombic)
- JTYPE = 5 is for B-centered (orthorhombic)
- JTYPE = 6 is for C-centered (orthorhombic, monoclinic)
- PI - real
- PI is pi.
Output parameters
- JA - integer
- JA is the total number of vector pairs tested.
- AH, AK, AL - real arrays of dimension JA
- AH, AK, AL contain the varying Miller indices used for the first
vector.
- AAD - real array of dimension JA
- AAD(I) contains the calculated d-spacing for AH(I), AK(I), AL(I) (in
Ångstroms).
- AHH, AKK, ALL - real arrays of dimension JA
- AHH, AKK, ALL contains the varying Miller indices used for the second
vector.
- ABD - real array of dimension JA
- ABD(I) contains the calculated d-spacing for AHH(I), AKK(I), ALL(I) (in
Ångstroms).
- AU1, AV1, AW1 - real arrays of dimension JA
- AU1, AV1, AW1 contain the normalised components of the zone axis.
- AAX - real array of dimension JA
- AAX contains the angles between the lattice vectors (in degrees).
- RR - real
- RR is GV1/GV2.
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None.
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No information supplied.
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None.
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1. Program text
REAL F(9), ACCU, AAA, PI, GV1, GV2, RR, AH(400), AK(400), AL(400)
REAL AAD(400), AHH(400), AKK(400), ALL(400), ABD(400)
REAL AU1(400), AV1(400), AW1(400), AAX(400)
INTEGER J21, JTYPE, JA, I
INCLUDE 'map_constants_pi.f'
READ (5,*) (F(I), I=1,9)
READ (5,*) ACCU, AAA, GV1, GV2
READ (5,*) J21, JTYPE
CALL MAP_CRYSTAL_ED1(F, ACCU, AAA, PI, GV1, GV2, RR, J21,
& JTYPE, AH, AK, AL, AAD, AHH, AKK, ALL, ABD, AU1, AV1, AW1, AAX, JA)
WRITE (6,10) JA
10 FORMAT ('Total number of vector pairs tested is ', I4)
WRITE (6,20)
DO 21 I=1, JA
WRITE (6,30) AH(I), AK(I), AL(I), AAD(I)
21 CONTINUE
WRITE (6,40)
DO 41 I=1, JA
WRITE (6,30) AHH(I), AKK(I), ALL(I), ABD(I)
41 CONTINUE
WRITE (6,50)
DO 51 I=1, JA
WRITE (6,30) AU1(I), AV1(I), AW1(I), AAX(I)
51 CONTINUE
20 FORMAT(,'Miller indices of 1st vector and calculated d-spacing')
30 FORMAT(3F8.4,' ',F8.4)
40 FORMAT(,'Miller indices of 2nd vector and calculated d-spacing')
50 FORMAT(,'Cpts of zone axis and angles between lattice vectors')
STOP
END
2. Program data
1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.25
0.03
3 2
3. Program results
None supplied.
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MAP_CRYSTAL_TEST1
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camera constant, d-spacing, Miller index
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Download source code
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