mass_attenuation_coefficient_corresponding_to_xrf_results
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mass_attenuation_coefficient_corresponding_to_xrf_results [2016/03/10 16:25] – alancoelho | mass_attenuation_coefficient_corresponding_to_xrf_results [2022/11/03 15:08] (current) – external edit 127.0.0.1 | ||
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+ | --- // | ||
+ | Version 5 upwards; Mass attenuation coefficient corresponding to XRF results. | ||
+ | |||
+ | test_txamples\XRF-MAC.INP | ||
+ | |||
+ | The two lines below marked Line 1 and Line 3 outputs the same phase_MAC. One is calculated from the str and the other from the dummy_str; the latter uses the elemental results from the first str but which could be from an XRF analysis. The two macros AW_Ce and AW_O are atomic weights for Ce and O respectively; | ||
+ | |||
+ | <code topas> | ||
+ | macro AW_Ce { 140.116 } /* Atomic weight from ISOTOPES.TXT */ | ||
+ | macro AW_O { 15.9994 } /* Atomic weight from ISOTOPES.TXT */ | ||
+ | macro e_Ce { 81.408 } /* elemental wt% from XRF */ | ||
+ | macro e_O { 18.592 } /* elemental wt% from XRF */ | ||
+ | |||
+ | r_wp 0 | ||
+ | XDD(ceo2) | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | bkg @ 0 0 0 0 0 | ||
+ | | ||
+ | | ||
+ | | ||
+ | { | ||
+ | | ||
+ | | ||
+ | | ||
+ | } | ||
+ | str | ||
+ | space_group F_M_3_M | ||
+ | phase_name CeO2 | ||
+ | scale @ 0.0014503208 | ||
+ | Cubic(@ 5.41) | ||
+ | site Ce1 occ Ce+4 1 beq @ 0.2028 | ||
+ | site O1 x 0.25 y 0.25 z 0.25 occ O-2 1 beq @ 0.5959 | ||
+ | |||
+ | CS_L(@, 300) | ||
+ | Strain_L(@, 0.1) | ||
+ | MVW(0, 0, 0) | ||
+ | Phase_LAC_1_on_cm(0) | ||
+ | | ||
+ | /* Mass attenuation coefficient calculated by Rietveld refinement */ | ||
+ | prm = Get(phase_MAC); | ||
+ | | ||
+ | | ||
+ | | ||
+ | site Ce occ Ce+4 = 1; | ||
+ | site O occ O-2 = (e_O / e_Ce) AW_Ce / AW_O; /* Line 2 */ | ||
+ | |||
+ | /* Mass attenuation coefficient corresponding to XRF results */ | ||
+ | prm = Get(phase_MAC); | ||
+ | </ |