[mcxtrace-users] improved perfect crystal model

[Mendenhall, Marcus]

Erik:

I now have a working doubly-bent crystal model, too, capable of creating a Johannson optic.  I also have updated the Source_lab.comp into Source_lab_lorentzian.comp.  The original Source_lab, although documented to produce Lorentzian lines, actually produces Gaussians, if one looks at the code.  The Source_Lab_Lorentzian produces reasonable facsimilies of the spectra of some commonly-used anode materials.

I have slightly updated the NIST_Perfect_crystal I provided before, so that I think it handles non-zero alpha angles (angle between crystal surface and lattice planes).

I would like to start writing documentation for these.  What format do you want text for your manual?  (LaTeX would be my preferred format).

I am attaching an updated NIST_Perfect_crystal.comp, Source_Lab_Lorentzian.comp, and the new NIST_bent_crystal.comp, along with an instrument which uses these.  The comments and math in the sample instrument show how to compute the correct curvatures for an asymmetric (different source and focal distance) Johannson optic for a given material and center wavelength. I am also attaching a PDF of the geometries of the two crystal types, just as a start on documentation.

Finally, I am attaching a modified version of PSD_Monitor.comp.  The monitor, as provided in the distribution, results in invalid output if you make it a 1-dimensional monitor.  This is because in the function which finalizes the output from a general n-dimensional detector in mcdetector_import() in mccode_r.c, the downconversion of the rank of the detector preserves the variables as X & Y (correct for a 2 detector), instead of converting them to X and (I, Ierr) which is correct for the 1D case.  This probably should ultimately be fixed at this level, but for now the new PSD_Monitor checks to see if it is really 1D, and directly calls the appropriate output function.

All of these should, of course, be considered very beta code for now, although I have tried to validate both crystals fairly thoroughly.

Marcus Mendenhall

Materials Measurement Science Division
National Institute of Standards and Technology
100 Bureau Dr. stop 8370 (217/B115)
Gaithersburg MD 20899 USA
phone: +1(301) 975-8631
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