I decided to start calculating some binary alpha factors for the actinide series elements, but then I realized I know nothing about these materials. If someone could chime in with some suggestions for the most relevant element pairs for their own work, I would be pleased to start the fast Monte-Carlo calculations with those elements in mind...
I've pre-calculated k-ratios for fast alpha factor based Monte-Carlo matrix corrections for many actinide elements. See here for the current list of binaries:
http://probesoftware.com/download/Calculated%20Matrix%20Binaries.txt
john
The latest Probe for EPMA (and CalcZAF) v. 12.1.5 contains an updated matrix.mdb for fast Monte Carlo matrix corrections. This latest update contains 407K binary k-ratios and now includes all the actinide and associated elements that Mike Matthews requested some time ago:
AlAmCFeGaNiOUPu
UPuNpAmCOZrMoNd
This update also includes binary k-ratios for all emitting lines in all matrices for F also. My MC servers are grinding their way through Ne binaries right now...
Awesome. Thanks John.
Quote from: Mike Matthews on February 02, 2018, 03:37:11 AM
Awesome. Thanks John.
Interesting to see how much difference it makes with your materials. When I compare the matrix corrections for an alloy steel, I see the largest change in the high Z Mo La and W Ma line results. For example here is the steel alloy in the CalcZAF CalcZAF.dat file using the Armstrong-Reed default:
ELEMENT K-RAW K-VALUE ELEMWT% OXIDWT% ATOMIC% FORMULA KILOVOL
Fe ka .07968 .07968 7.284 ----- 8.274 .662 15.00
Ni ka .51712 .51712 50.679 ----- 54.762 4.381 15.00
Cr ka .17236 .17215 16.379 ----- 19.984 1.599 15.00
Mo la .13586 .13464 16.503 ----- 10.912 .873 15.00
W ma .02700 .02695 3.854 ----- 1.330 .106 15.00
Co 1.500 ----- 1.615 .129
Si .850 ----- 1.920 .154
Mn .640 ----- .739 .059
V .220 ----- .274 .022
Cu .190 ----- .190 .015
TOTAL: 98.098 ----- 100.000 8.000
With the fast Penepma Monte Carlo k-ratios fitted to alpha factors, we get this:
ELEMENT fe ka ni ka cr ka mo la w ma co si mn v cu Total
UNK KRAT .0797 .5171 .1721 .1345 .0269
UNK WT% 7.536 50.917 16.353 17.062 4.263 1.500 .850 .640 .220 .190 99.532
UNK AT% 8.474 54.462 19.750 11.168 1.456 1.598 1.901 .732 .271 .188 100.000
UNK BETA .9459 .9846 .9500 1.2685 1.5848
ALPITER 5.0000
That said, it is worth seeing the range of compositions for all the analytical expressions in CalcZAF:
Elemental Weight Percents:
ELEM: Fe Ni Cr Mo W Co Si Mn V Cu TOTAL
1 7.284 50.679 16.379 16.503 3.854 1.500 .850 .640 .220 .190 98.098 Armstrong/Love Scott (default)
2 7.239 50.521 16.158 17.530 4.566 1.500 .850 .640 .220 .190 99.413 Conventional Philibert/Duncumb-Reed
3 7.331 50.805 16.513 16.796 4.179 1.500 .850 .640 .220 .190 99.025 Heinrich/Duncumb-Reed
4 7.254 50.503 16.308 16.517 3.986 1.500 .850 .640 .220 .190 97.967 Love-Scott I
5 7.284 50.663 16.367 16.603 4.112 1.500 .850 .640 .220 .190 98.428 Love-Scott II
6 7.223 50.469 16.071 17.505 4.478 1.500 .850 .640 .220 .190 99.146 Packwood Phi(pz) (EPQ-91)
7 7.249 52.233 16.025 16.611 3.968 1.500 .850 .640 .220 .190 99.486 Bastin (original) Phi(pz)
8 7.260 50.555 16.276 17.136 4.224 1.500 .850 .640 .220 .190 98.851 Bastin PROZA Phi(pz) (EPQ-91)
9 7.267 50.634 16.281 16.988 4.110 1.500 .850 .640 .220 .190 98.679 Pouchou and Pichoir-Full (Original)
10 7.285 50.728 16.317 17.026 4.159 1.500 .850 .640 .220 .190 98.915 Pouchou and Pichoir-Simplified (XPP)
AVER: 7.268 50.779 16.270 16.922 4.164 1.500 .850 .640 .220 .190 98.801
SDEV: .030 .522 .148 .384 .220 .000 .000 .000 .000 .000 .513
SERR: .010 .165 .047 .121 .070 .000 .000 .000 .000 .000
MIN: 7.223 50.469 16.025 16.503 3.854 1.500 .850 .640 .220 .190 97.967
MAX: 7.331 52.233 16.513 17.530 4.566 1.500 .850 .640 .220 .190 99.486
So the Penepma generated fast Monte Carlo results are well within the range of analytical expressions we already have- which is interersting...
Maybe a more apt comparison would be to compare all the analytical expressions in CalcZAF, but this time, fit to alpha factors as seen here (since that is how we obtain fast matrix corrections from Penepma):
Summary of All Calculated (averaged) Matrix Corrections:
NIST SRM C2402 (Hastelloy C) (test beta fluorescence)
LINEMU Henke (LBL, 1985) < 10KeV / CITZMU > 10KeV
Elemental Weight Percents:
ELEM: Fe Ni Cr Mo W Co Si Mn V Cu TOTAL
1 7.300 50.742 16.232 16.524 3.806 1.500 .850 .640 .220 .190 98.004 Armstrong/Love Scott (default)
2 7.211 50.412 15.904 17.345 4.518 1.500 .850 .640 .220 .190 98.790 Conventional Philibert/Duncumb-Reed
3 7.316 50.705 16.291 16.664 4.145 1.500 .850 .640 .220 .190 98.522 Heinrich/Duncumb-Reed
4 7.267 50.583 16.145 16.450 3.886 1.500 .850 .640 .220 .190 97.730 Love-Scott I
5 7.297 50.736 16.201 16.512 4.013 1.500 .850 .640 .220 .190 98.159 Love-Scott II
6 7.236 50.578 15.925 17.478 4.371 1.500 .850 .640 .220 .190 98.988 Packwood Phi(pz) (EPQ-91)
7 7.249 52.029 15.819 16.623 3.984 1.500 .850 .640 .220 .190 99.104 Bastin (original) Phi(pz)
8 7.260 50.583 16.079 17.049 4.188 1.500 .850 .640 .220 .190 98.559 Bastin PROZA Phi(pz) (EPQ-91)
9 7.270 50.670 16.092 16.937 4.057 1.500 .850 .640 .220 .190 98.426 Pouchou and Pichoir-Full (Original)
10 7.290 50.767 16.131 16.953 4.083 1.500 .850 .640 .220 .190 98.625 Pouchou and Pichoir-Simplified (XPP)
AVER: 7.269 50.781 16.082 16.853 4.105 1.500 .850 .640 .220 .190 98.491
SDEV: .032 .452 .154 .360 .214 .000 .000 .000 .000 .000 .430
SERR: .010 .143 .049 .114 .068 .000 .000 .000 .000 .000
MIN: 7.211 50.412 15.819 16.450 3.806 1.500 .850 .640 .220 .190 97.730
MAX: 7.316 52.029 16.291 17.478 4.518 1.500 .850 .640 .220 .190 99.104
Very similar results to the normal analytical expressions at least, but it's interesting that the best total (99.532) is from the Penepma fast Monte Carlo method...