Saturday, June 6, 2020

HP 42S/DM42/Free42: X-Ray Spectrometric Calculations

HP 42S/DM42/Free42:   X-Ray Spectrometric Calculations

Introduction

The program XRAY contains a menu of several calculations involving flat crystal spectronomers, which include:

[ >EW ]:  Energy wavelength conversion, where E * λ = 12.39852.  E = energy and λ = wavelength

[ →N ]:  Store n, where n is the nth crystal.   You can calculate for any crystal and have any number of crystals for this program.

[ANGLE]:  Calculates the double diffraction angle, in degrees, of any crystal given n, E, and λ by using the Bragg Equation:

θ = 2 * asin( (12.39852 * n) / (E * d) )

where d = the spacing of the crystal planes

You will be prompted for E and d each time.

[E KEV]:  Uses the Bragg Equation to calculate energy (E), given n, d, and θ.  You will be prompted for d and θ each time.

[ENRGY]:  Calculates the energy resolving power (δ) at an X-ray given its line energy (E), double refraction angle (θ), and angular divergence of the collimator (δ). 

ENERGY  = (E * 1000 * δ° * π / 180) / tan θ

Enter δ in degrees. 


HP 42S/DM42/Free42 Program: XRAY

This program is based on the HP 11C/HP 15C program as published by Török (see source)

00 { 241-Byte Prgm }
01▸LBL "XRAY"
02 DEG
03▸LBL 00
04 ">EW"
05 KEY 1 GTO 01
06 "→N"
07 KEY 2 GTO 02
08 "ANGLE"
09 KEY 3 GTO 03
10 "E KEV"
11 KEY 4 GTO 04
12 "ENRGY"
13 KEY 5 GTO 05
14 "EXIT"
15 KEY 6 GTO 06
16 MENU
17▸LBL 07
18 STOP
19 GTO 07
20▸LBL 01
21 EXITALL
22 1/X
23 12.39852
24 ×
25 STOP
26 GTO 00
27▸LBL 02
28 EXITALL
29 STO 01
30 GTO 00
31▸LBL 03
32 EXITALL
33 12.39852
34 RCL× 01
35 "E?"
36 PROMPT
37 ÷
38 "2d?"
39 PROMPT
40 ÷
41 ASIN
42 2
43 ×
44 "DBL ANGLE="
45 AVIEW
46 STOP
47 GTO 00
48▸LBL 04
49 EXITALL
50 12.39852
51 RCL× 01
52 "2d?"
53 PROMPT
54 ÷
55 "DBL ANGLE?"
56 PROMPT
57 2
58 ÷
59 SIN
60 1/X
61 ×
62 "E="
63 AVIEW
64 STOP
65 GTO 00
66▸LBL 05
67 EXITALL
68 "DBL ANGLE?"
69 PROMPT
70 2
71 ÷
72 TAN
73 1/X
74 "DELTA?"
75 PROMPT
76 →RAD
77 ×
78 "E?"
79 PROMPT
80 ×
81 1ᴇ3
82 ×
83 "ENERGY="
84 AVIEW
85 STOP
86 GTO 00
87▸LBL 06
88 CLMENU
89 EXITALL
90 .END.

You can download this program here:  https://drive.google.com/open?id=1k12l9Un9LgtrdC3139jS3SGYjNF30Qni

Note N is stored in Register R01.  Every other memory register can be used.

Example 

For a two-crystal spectrometer with properties:

Crystal 1 (n = 1):  6.285 Å (angstrom)  (d)
Crystal 2 (n = 2):  7.285 Å

Angular divergence:  0.31°   (δ)

An M_α  wave with wavelength 3.415 Å enters the system.  Find the energy of this M_α wave and the double refraction angle for each crystal.  Also was the energy-resolving power of each of the crystals.

 [ XEQ ] (XRAY)

3.415 ( >EN )     Result:  E = 3.63061 keV  (store this in R00)
[STO] 00

1st Crystal

[ R/S ] 
1 ( →N ) (ANGL)
"E?"  [RCL] 00 [R/S]
"2d?"  6.285 [R/S]

Result:  DBL ANGLE = 65.82494

(ENRGY)
"DBL ANGLE?" [ R/S ] (since θ is still on the X stack)
"DELTA?"  0.31 [STO] 02 [R/S]
"E?"  [RCL] 00 [R/S]

Result:  ENERGY= 30.34969 eV

2nd Crystal

[ R/S ] 
2 ( →N ) (ANGL)
"E?"  [RCL] 00 [R/S]
"2d?"  7.285 [R/S]

Result:  DBL ANGLE = 139.28586

(ENRGY)
"DBL ANGLE?" [ R/S ] (since θ is still on the X stack)
"DELTA?"  [RCL] 02 [R/S]
"E?"  [RCL] 00 [R/S]

Result:  ENERGY= 7.28859eV

Source:

Török, I. (1990), Line identification and other simple wavelength‐dispersive x‐ray spectrometric calculations using a pocket calculator. X‐Ray Spectrom., 19: 159-161. doi:10.1002/xrs.1300190314

Eddie

All original content copyright, © 2011-2020.  Edward Shore.   Unauthorized use and/or unauthorized distribution for commercial purposes without express and written permission from the author is strictly prohibited.  This blog entry may be distributed for noncommercial purposes, provided that full credit is given to the author.

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