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popLA Manual (PDF) - Materials Science and Engineering

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HARMONIC ANALYSIS (page 4)<br />

HARMONIC ANALYSIS (<strong>popLA</strong> page 4)<br />

0. Quit<br />

1. Return to Page 1<br />

Find harmonic coefficients .HCF, completed PFs (.FUL) for:<br />

2. Cubic crystal system<br />

3. Hexagonal, tetragonal or orthorhombic crystal system<br />

4. Compute SOD or COD from harmonic coefficients (slow!)<br />

5. Recalculate pole figures .HPF<br />

6. Inverse pole figures .HIP<br />

7. List harmonic coefficients to screen or printer<br />

8. Establish coefficients for a given transformation<br />

9. Apply TRANSFORMATION to given coefficients<br />

Note: To convert Aachen-format Bunge coeffs. to Kallend’s binary<br />

Roe coeff.file .HCF: use AC2Wlmn (outside this menu) -<br />

Also need FAKTOR.CtW (J. Hirsch)<br />

Please enter a number from 0 to 7 --><br />

#0 Quit<br />

Selecting this option quits <strong>popLA</strong> <strong>and</strong> returns control to DOS comm<strong>and</strong> shell<br />

#1 Return to Page 1<br />

Selecting this option returns control to the main menu of <strong>popLA</strong><br />

#2 Harmonic Analysis—Cubic<br />

mn<br />

Determines the harmonic coefficients Wl from a sample with cubic symmetry--even l only, to l=22. When<br />

this option is selected, <strong>popLA</strong> displays<br />

Pole figure analysis to fit Wlmn, cubic<br />

Harmonic method<br />

Program (c) John Kallend 1971, 1982<br />

(x) Pole Figures read in<br />

How many iterations on missing parts? 6<br />

Six or eight iterations is usually sufficient.<br />

Sample Symmetry<br />

0. Orthorhombic<br />

1. Mirror perpendicular to Z<br />

Enter 0 or 1 ==> 0<br />

After sample symmetry is entered, <strong>popLA</strong> determines the harmonic coefficients from the data. After the<br />

calculation is completed it will ask if you would like to print the harmonic coefficients to the screen. The output<br />

of this program is an .HCF file which contains the harmonic coefficients (in a binary format) <strong>and</strong> a .FUL file,<br />

which is a pole figure which has been extrapolated to low (non-measurable) angles using the harmonic<br />

coefficients determined during the analysis. Note that the .HCF file is not a density file like most of the files (i.e.<br />

pole figures) produced by <strong>popLA</strong>.<br />

#3 Harmonic Analysis—Lower Symmetry<br />

mn<br />

Determines the harmonic coefficients Wl (for l even, to 22) from a sample with orthorhombic, tetragonal, or<br />

hexagonal symmetry. It is necessary to know information about the unit cell because the sample is not cubic.<br />

The requests for input are self-explanatory.<br />

Pole figure analysis to fit Wlmn, non cubic<br />

Harmonic method<br />

Program (c) John Kallend 1971, 1982<br />

(x) Pole Figures read in<br />

How many iterations on missing parts? 6<br />

Six or eight iterations is usually sufficient.<br />

ODF Analysis for (file)<br />

Enter CRYSTAL SYSTEM code<br />

2=ORTHORHOMBIC, 4=TETRAGONAL, 6=HEXAGONAL<br />

Enter 2, 4, or 6 ===> 2<br />

(Program requests information about ratio of sides in the unit cell)<br />

Please enter sample symmetry:<br />

DETAILS 28

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