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=head1 NAME
APT - The ATOMS Periodic Table
=head1 SYNOPSIS
Simple graphical interface to the Xray::Absorption package
apt [-v] [-h]
=head1 DESCRIPTION
This is a simple graphical interface to the x-ray absorption data for
the elements contained in the Xray::Absorption package. When run, a
window appears displaying a colorful periodic table of the elements.
Clicking on an element causes data about that element to be displayed
in the bottom half of the window.
All energies in this program are in eV. All wavelengths are in
Angstroms. All distances are in microns or centimeters as described
above. The buttons labeled C<Clear>, C<Help>, and C<Exit> do exactly
what their labels suggest, although the C<Clear> button only clears
the currently displayed notecard. These have keyboard shortcuts of
C<control-c>, C<control-h>, and C<control-q> respectively.
C<Control-t> is the keyboard shortcut for toggling between energy and
wavelength units.
If this program is invoked with a C<-v> switch, version information is
displayed to standard output and the program quits. If C<-h> is
given, this help document is displayed to standard output and the
program quits.
=head1 THE ENERGIES AND ABSORPTION LENGTHS PROGRAM
This notecard is used to display edge and line energies of the
elements and to make simple calculations of absorption legth and
attenuation. When you click on an element in the periodic table,
these data about that element are displayed in the notecard.
If an energy in eV is specified, then the absorption length of the
selected element at the specified energy will also be displayed. If
the selected element is a gas, the absorption length is given in
centimeters, otherwise it is given in microns.
If a length is also specified in the box marks "thickness", then an
attenuation factor will be given for a pure sample of that length and
at the specified energy. For example, if you enter 8000 eV as the
energy, and "10" as the thickness then select nickel, the attenuation
will be 0.64. This means that a 10 micron nickel foil absorbs 36% of
the incident beam. Again, centimeters are assumed for gases. With
the thickness set to 10, selecting nitrogen gives an attenuation of
0.91 at that energy. This means that a 10 centimeter ionization
chamber filled with nitrogen will absorb about 9% of the beam.
Not all of the data is available for all the elements. When data is
missing, the corresponding space will be left blank. For transuranic
elements, only the name and atomic number are displayed.
All data used in this program comes from the Elam data resource (see
L<Xray::Absorption> and L<Xray::Absorption::Elam>). Of all the
available xray absorption data resources, the Elam resource has by far
the most complete collection of edge and line energies. The edge and
line energies are organized into notecards. Click on the tabs of the
notecards to see the different pages. The Siegbahn and IUPAC symbols
for the fluorescence lines are displayed, along with the line energy
and the relative intensity of the line. The relative intensity is
normlized such that the sum of intensities from lines originating in
the same core state sum to 1.
The weight displayed is the isotope-averaged atomic weight. The
density is for the most common pure from of the element. The density
displayed for carbon is the density of graphite. (Diamond has a
specific gravity of about 3.1.) The densities of fluorine, and
bromine are their liquid phase densities.
The third button from the left at the bottom of the screen is used to
change the units displayed in the program between eV for energy and
Ansgtroms for wavelength. Clicking this button will toggle all parts
of the program between these two units. Please note that the entry
box labeled C<Energy> (or C<Wavelength>) also toggles between the two
units. When you have the program set to use wavelength, you must
enter wavelength values in that box. If you enter a value that seems
too small for energy units or too large for wavelength units, the
program will pop open a confirmation dialog.
=head1 THE ANOMALOUS SCATTERING PROGRAM
This notecard contains a simple interface to tables of anomalous
scattering factors. Simply fill in an energy range and a value for
the energy step and click on an element, and the f prime and double
prime functions will be displayed in the canvas on the right.
Alternatively, you can select an absorption edge and click on an
element, and the anomalous scattering factors will be display 100
volts above and below that edge. You can even simply click on an
element. If the element is lighter than cerium, the scattering
factors around the K edge will be shown, other wise the scattering
factors around the L3 edge are shown.
Below the widgets allowing you to specify the energy grid and the edge
are two buttons. The one labeled C<Save data> allows you to save the
most recent calculation to a file. By default the filename is
C<fpfpp_XX.dat>, where XX is the symbol of the element for which the
anomalous scattering was calculated. You can change the name of the
output file in the file dialog.
The C<Clear range> button is a bit more complicated. Because it is
often useful to calculate the anomalous scattering factors of one
element near the absorption edge of another element, the energy range
is not cleared when you press on a new element button. Instead, the
energy range used for the prior calculation is used for the new
calculation. If, for example, you want the calculation made around an
edge of the new element, you should hit the C<Clear range> button or
the C<Clear> button at the bottom of the page.
The button which converts between wavelengths and energies currently
does nothing when the anomalous scattering notecard is displayed.
While you certainly may specify very broad energy ranges, for example
to see K and L edges for an element, do remember that perl is an
interpreted language and that such a request will be rather time
consuming even on a speedy computer.
=head1 TO DO
=over 4
=item *
More kinds of useful data about the elements
=back
=head1 ACKNOWLEDGMENTS
Thanks to Stephane Grenier and Matt Newville for their helpful
sugestions and beta testing.
=head1 AUTHOR
Bruce Ravel, bruce@phys.washington.edu
http://feff.phys.washington.edu/~ravel
copyright (c) 1999 Bruce Ravel
=cut
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