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Applicability of The Condensed-Random-Walk Monte Carlo Method at Low Energies in High-Z Materials PDF
Applicability of The Condensed-Random-Walk Monte Carlo Method at Low Energies in High-Z Materials PDF
Radiation Physics
and
Chemistry
Radiation Physics and Chemistry 53 (1998) 191203
Abstract
The predictions of several Monte Carlo codes were compared with each other and with experimental results
pertaining to the penetration of through gold foils of electrons incident with energies from 128 to 8 keV. The main
purpose was to demonstrate that reection and transmission coecients, for number and energy, can be estimated
reliably with a simple Monte Carlo code based on the condensed-random-walk and continuous-slowing-down
approximations. # 1998 Elsevier Science Ltd. All rights reserved.
1. Introduction
The penetration, diusion and slowing down of electrons is the result of a very large number of Coulomb
interactions. To reduce the large computing eort
involved in the simulation of these interactions, Monte
Carlo methods for calculating the transport of electrons through matter often use the condensed-randomwalk (CRW) method. The electron tracks to be simulated are divided into many segments (steps) such that
an appreciable number of interactions occur in each
step. One multiple-scattering deection and one energy
loss are sampled for each step. The CRW methods can
be further simplied by limiting random sampling to
elastic collisions and using the continuous-slowingdown approximation (CSDA), in which the electrons
are assumed to lose energy along their track at a rate
given by the stopping power.
The lower the initial electron energy, the smaller is
the number of Coulomb interactions which the electrons make in the course of slowing down to rest and
the more the advantage of the CRW method shrinks.
For the users of general-purpose Monte Carlo codes
based on the CRW method such as ETRAN (Seltzer,
1991) or the TIGER series (Halbleib et al., 1991), it is
192
experimental optical data. The adopted curve of stopping-power versus energy is compared in Fig. 1 with
the curve from Bethe's theory only. Stopping powers
and CSDA ranges for gold are listed in Table 1.
Stopping powers for low-energy electrons have also
been determined by various other authors, including
Fernandez-Varea et al. (1993), whose calculations,
though diering in details, leads to results for gold
which, between 10 and 1 keV, agree with those of
Ashley to within 1 to 2%. Fernandez-Varea et al. tted
their stopping powers for Al, Si, Cu and Au between
10 and 1 keV by a formula that is similar to that of
Bethe's theory but includes two disposable tting parameters, a4 and a5:
dE=dx 0:30707Z=AlogT=I 0:5*1 log 2
a4 Z R=T a5 Z R=T 2 ,
3. Stopping powers
Stopping power tabulations based on Bethe's theory,
for example from ICRU Report 37 (International
Commission on Radiation Units and Measurements,
1984), are the standard source of data for transport
calculations. However, below about 10 keV Bethe's
formula is no longer accurate and one must rely on
low-energy treatments. Stopping powers below 10 keV
were taken from the calculations of Ashley (1990)
based on a generalized oscillator-strength model and
QT, T0
mT 0 =LT 0 dT,
T0
0
1=LT 0 dT:
T 0
T
mT0=LT0 dT0
193
Table 1
Stopping powers and ranges for electrons in gold. Obtained
by combining radiative stopping powers and collision stopping powers above 20 keV, from ICRU (1984), with collision
stopping powers below 10 keV from Ashley (1990)
T
1.00
1.25
1.50
1.75
2.00
2.50
3.00
3.50
4.00
4.50
5.00
5.50
6.00
7.00
8.00
9.00
10.00
12.50
15.00
17.50
20.00
25.00
30.00
35.00
40.00
45.00
50.00
55.00
60.00
70.00
80.00
90.00
100.00
125.00
150.00
175.00
200.00
250.00
SC
SR
ST
29.969
27.502
25.518
23.922
22.567
20.301
18.478
16.983
15.735
14.679
13.783
13.021
12.371
11.316
10.456
9.709
9.058
7.766
6.827
6.128
5.595
4.832
4.284
3.870
3.545
3.283
3.067
2.885
2.730
2.480
2.286
2.132
2.006
1.773
1.614
1.499
1.412
1.291
0.004
0.005
0.006
0.007
0.007
0.009
0.010
0.011
0.012
0.013
0.014
0.015
0.016
0.017
0.018
0.019
0.020
0.022
0.024
0.025
0.027
0.029
0.030
0.032
0.033
0.034
0.035
0.036
0.037
0.039
0.041
0.042
0.043
0.047
0.049
0.052
0.054
0.058
29.973
27.507
25.523
23.929
22.575
20.310
18.488
16.995
15.747
14.692
13.797
13.036
12.386
11.333
10.474
9.729
9.078
7.788
6.851
6.154
5.622
4.861
4.353
3.902
3.579
3.318
3.102
2.922
2.768
2.519
2.327
2.174
2.049
1.819
1.663
1.550
1.466
1.349
RG
0.0344
0.0431
0.0525
0.0627
0.0734
0.0968
0.1226
0.1509
0.1815
0.2144
0.2495
0.2868
0.3262
0.4107
0.5026
0.6017
0.7082
1.0064
1.3496
1.7354
2.1611
3.1213
4.2156
5.4363
6.7761
8.2287
9.7885
11.450
13.210
17.004
21.140
25.590
30.332
43.326
57.731
73.326
89.931
125.60
194
Fig. 2. Coecients a4 and a5 in the tting formula for electron stopping power of Fernandez-Varea et al. (1993).
Q(T, T0)
r0(T) (g/cm2)
128.000
127.262
126.530
125.801
0.00000
23.09309
46.05937
68.89948
4.49832E 02
4.45737E 02
4.41677E 02
4.37653E 02
195
Table 3
Characteristics of the condensed random walk used in MTRAN to calculate the reection and transmission of electrons by gold
foils. 1208 steps cover the energy region from 128 to 1 keV. The step sizes are chosen so that the inverse of the average deection
cosine per step is approximately 208
Step #
Energy
initial (keV)
1
121
240
355
466
572
671
763
847
925
996
1060
1117
1167
1208
128.000
90.510
64.000
45.255
32.000
22.627
16.000
11.314
8.000
5.657
4.000
2.828
2.000
1.414
1.009
nal (keV)
127.631
90.249
63.809
45.125
31.897
22.549
15.942
11.269
7.965
5.630
3.980
2.812
1.987
1.403
1.004
Step size
Collisions
(g/cm2)
per step
2.0521E 04
1.2036E 04
7.1714E 05
4.2255E 05
2.4757E 05
1.5082E 05
8.7950E 06
5.3211E 06
3.2958E 06
2.1157E 06
1.2895E 06
8.5274E 07
5.8776E 07
4.2327E 07
2.9072E 07
11.56
8.27
6.06
4.40
3.18
2.38
1.69
1.24
0.93
0.72
0.52
0.41
0.33
0.28
0.22
total
3922.75
2741.22
1899.95
1306.84
892.26
604.48
405.98
271.41
180.57
118.17
75.13
45.58
25.00
10.42
0.22
quite small it is not dicult to calculate the multiple-scattering distribution accurately. It suces to
express the distribution as the sum of three components: (a) unscattered electrons, represented by a
delta function; (b) once-scattered electrons, represented by the single-scattering cross section itself
and (c) electrons scattered at least twice, represented
by a Legendre series from the theory of Goudsmit
and Saunderson (1940).
Fig. 3 shows the number of elastic collisions made
by an electron in gold in the course of slowing down
to 1 keV, as a function of the initial energy T0. Also
shown is the number of steps of the condensed random
walk, for three cases: for the grid with an average
deection of 208 per step and for the two coarser grids
with average deection angles of 288 and 398. The
number of steps is actually greater than the number of
collisions for the 208 grid when T0<25 keV and for
the 288 grid when T0<9 keV. Under these conditions
the CRW method is inecient but retains its accuracy,
as will be demonstrated in Section 5, even for T0 as
low as 8 keV.
A systematic set of comparisons was made for electrons incident normally, with energies of 128, 64, 32,
16 and 8 keV, on gold foils. Samples of 1 million
Monte Carlo histories were analyzed for each initial
energy, using the ITRAN code, and using the
MTRAN code without and with the random hinging
196
Table 4
Dierences between transmission and reection coecients for gold calculated with ITRAN and MTRAN. Results are based on 1
million Monte Carlo histories run with each code. The results pertain to 128-, 64-, 32-, 16- and 8-keV electrons incident normally
on gold foils. The csda ranges in gold are given in parentheses beneath each energy
x/r0
0.05
0.10
0.15
0.20
0.25
0.30
0.35
0.40
x/r0
0.7895
0.5897
0.4294
0.2831
0.1654
0.0842
0.0367
0.0131
STD
0.05
0.08
0.12
0.16
0.22
0.33
0.51
0.87
(a)
(b)
2.0
2.1
2.6
2.8
3.3
4.2
4.9
6.0
0.1
0.2
0.4
0.7
0.9
1.1
1.4
2.1
0.05
0.10
0.15
0.20
0.25
0.30
0.35
0.40
0.7493
0.5075
0.3267
0.1909
0.0994
0.0452
0.0176
0.0056
Energy
(keV)
RN
128
64
32
16
8
DIFF
0.5151
0.5065
0.4918
0.4738
0.4545
DIFF
STD
0.10
0.10
0.10
0.11
0.11
(a)
(b)
2.1
2.3
2.8
3.1
3.7
4.5
5.3
5.9
0.2
0.3
0.5
0.7
1.0
1.3
1.6
1.3
DIFF
(a)
(b)
2.0
2.2
2.0
2.7
2.3
0.2
0.3
0.1
0.3
0.7
64 keV (0.01469 g/cm2) 32 keV (0.00469 g/cm2) 16 keV (0.00150 g/ m2) 8 keV (0.000503 g/ m2)
TN
0.7999
0.6074
0.4508
0.3057
0.1856
0.1001
0.0463
0.0182
STD
0.05
0.08
0.11
0.15
0.21
0.30
0.45
0.73
DIFF
(a)
(b)
2.0
2.3
2.6
3.1
3.8
4.2
5.1
5.8
0.2
0.4
0.6
1.0
1.3
1.7
2.7
3.0
TN
0.8143
0.6335
0.4818
0.3391
0.2157
0.1237
0.0626
0.0272
STD
0.05
0.08
0.10
0.14
0.19
0.27
0.39
0.60
DIFF
(a)
(b)
1.9
2.2
2.4
2.6
3.4
3.8
4.4
5.5
0.1
0.2
0.3
0.6
1.2
1.1
1.3
3.0
TN
0.8268
0.6620
0.5175
0.3780
0.2539
0.1550
0.0853
0.0415
STD
0.05
0.07
0.10
0.13
0.17
0.23
0.33
0.48
DIFF
(a)
(b)
2.1
2.4
2.8
3.2
3.8
4.6
5.0
5.5
0.2
0.3
0.4
0.6
0.9
1.4
1.7
1.6
TN
STD
DIFF
(a) (b)
0.8349
0.6856
0.5496
0.4144
0.2900
0.1871
0.1102
0.0584
0.04
0.07
0.09
0.12
0.16
0.21
0.28
0.40
1.8
2.0
2.1
2.4
2.5
3.1
3.2
6.0
0.3
0.5
0.7
1.0
1.4
1.5
2.1
2.6
64 keV (0.01469 g/cm2) 32 keV (0.00469 g/cm2) 16 keV (0.00150 g/ m2) 8 keV (0.000503 g/ m2)
TE
DIFF
0.7619
0.5282
0.3485
0.2105
0.1143
0.0552
0.0229
0.0081
RE
0.4048
0.3984
0.3849
0.3671
0.3485
(a)
(b)
2.2
2.6
2.9
3.4
4.0
4.6
5.1
5.6
0.3
0.5
0.7
1.1
1.5
1.9
2.6
2.9
TE
0.7777
0.5559
0.3780
0.2376
0.1358
0.0699
0.0317
0.0124
DIFF
(a)
(b)
2.0
2.4
2.7
3.0
3.6
4.0
4.7
5.7
0.2
0.3
0.4
0.7
1.2
1.2
1.6
2.9
TE
0.7912
0.5856
0.4117
0.2693
0.1624
0.0892
0.0441
0.0192
DIFF
(a)
(b)
2.2
2.7
3.1
3.6
4.3
4.9
5.3
5.6
0.3
0.4
0.5
0.7
1.0
1.5
1.7
2.0
TE
STD
DIFF
(a) (b)
0.7984
0.6080
0.4402
0.2981
0.1876
0.1090
0.0579
0.0276
1.9
2.3
2.5
2.9
3.1
3.6
3.8
6.3
0.4
0.6
0.9
1.2
1.6
1.9
2.4
2.7
DIFF
(a)
(b)
2.7
2.9
2.8
3.5
3.3
0.2
0.3
0.1
0.3
0.8
197
Table 6
Comparison of computing time required by the Monte Carlo
codes ITRAN and MTRAN to generate 1 million electron
histories and to calculate reection and transmission coecients. Three sets of results are reported for MTRAN corresponding to condensed-random-walk step sizes such that
inverse of the average deection cosine per step is approximately 20, 28 or 398. The comparisons pertain to electrons
incident normally on gold foils with ten thicknesses up to one
half range. The results were obtained on a PC with a 166Mhz Pentium processor
Energy (keV)
Time (min)
ITRAN
128
64
32
16
8
289.20
143.41
69.77
33.44
15.77
MTRAN
208
288
398
50.52
40.58
31.02
22.27
16.91
26.33
21.43
16.80
12.39
8.42
13.67
11.19
8.88
6.66
4.64
Transmission
x/r0
0.050
0.100
0.150
0.200
0.250
0.300
0.350
0.400
208
0.2
288
0.04
398
0.2
0.1
0.2
0.4
0.7
0.9
1.1
1.4
2.1
0.2
0.1
0.1
0.3
0.5
0.5
1.6
3.1
0.3
0.5
0.8
1.4
2.0
3.0
4.4
6.9
16 keV (Reection)
Transmission
x/r0
0.050
0.100
0.150
0.200
0.250
0.300
0.350
0.400
208
0.3
288
0.4
398
0.5
0.2
0.3
0.4
0.6
0.9
1.4
1.7
1.6
0.3
0.3
0.5
0.7
0.9
1.3
1.7
1.5
0.5
0.7
0.9
1.2
1.7
2.5
3.0
3.9
198
Table 7
Comparison of transmission coecients calculated with the MTRAN code (1 million histories) and the ETRAN code (100,000 histories). Results pertain to 128-keV electrons incident normally on a gold foil and are given as function of foil thickness in units of
range
x/r0
0.05
0.10
0.15
0.20
0.25
0.30
0.35
0.40
MTRAN
ETRAN
MTRAN
ETRAN
CSDA
CSDA
STRAG
CSDA
CSDA
STRAG
0.7984
0.5910
0.4310
0.2850
0.1668
0.0852
0.0371
0.0134
0.7899
0.5939
0.4334
0.2864
0.1679
0.0862
0.0384
0.0138
0.7885
0.5908
0.4281
0.2847
0.1709
0.0931
0.0451
0.0190
0.7506
0.5090
0.3283
0.1923
0.1003
0.0458
0.0178
0.0057
0.7412
0.5041
0.3245
0.1907
0.0997
0.0462
0.0182
0.0058
0.7401
0.5039
0.3262
0.1958
0.1075
0.0536
0.0240
0.0096
Fig. 5. Estimated increase of the number transmission coecient due to primary electrons with energy less than 1 keV, as
function of foil thickness. These results pertain to 9.3 keV
electrons incident normally on gold foil. The points (w) are
from MTRAN and the solid line is a t to these points.
Percent
transmission
2.48
0.84
0.36
0.14
0.17
Contribution to
reection
0.42
0.12
0.05
0.02
0.01
199
200
17.3 keV and in Fig. 8(b) at 25.2, 32.4, 41.5 and 62.1
keV. The calculated curves include transmitted primary
electrons only, whereas the measurements also include
all secondary electrons with energies above 50 eV. At
the four lowest energies the measured curves lie signicantly above the calculated transmission curves,
whereas at the four highest energies the agreement is
fairly good. Exploratory calculations with the ETRAN
code indicate that the contributions due to secondary
electrons might increase the calculated transmission by
a few percent, but such estimates are very rough. In
any case it appears unlikely that the neglect of secondary electrons in MTRAN can account for the observed
discrepancies.
Similar comparisons between the results from
MTRAN and the measurements of Neubert and
Rogaschewski (1984) are made in Fig. 9(a) at 15, 20,
25 and 30 keV, and in Fig. 9(b) at 35, 40, 50 and 60
keV. In this comparison, at the four lowest energies
the measured curves lie slightly below the calculated
curves and at the four highest energies there is again
good agreement.
Fig. 10 compares number transmission curves calculated with MTRAN and measured by Neubert and
Rogaschewski (1984), as functions of the angle of incidence a (between 0 and 808) for 30-keV electrons
transmitted through gold foils of various thickness
(a = 0 means normal incidence). The agreement is
good, except perhaps for the thinnest foil (98 mg/cm2).
Table 9 compares calculated and measured reection
coecients for electron incident on gold foils, at energies from 20 to 60 keV. Calculated coecients are
shown for primary reected electrons and also with a
201
Table 9
Comparisons of number reection coecients for electrons with energies from 20 to 60 keV incident normally on a thick gold foil.
The comparisons include Monte Carlo results from MTRAN and from LEEPS (Fernandez-Varea et al., 1996) and measurements
by Hunger and Kuchler (1979), Drescher et al. (1970) and by Neubert and Rogaschewski (1980)
Energy (keV)
20
Calculations
(1) MTRAN (no sec. el.)
(2) LEEPS (no sec. el.)
(3) LEEPS (with sec. el.)
Experiments
(4) Hunger and Kuchler
(5) Drescher et al.
(6) Neubert and
Rogaschewski
(1)
(2)
(3)
(5)
30
40
50
60
0.479
0.477
0.482
0.490
0.489
0.496
0.496
0.497
0.504
0.501
0.503
0.509
0.504
0.506
0.518
0.485
0.498
0.516
0.489
0.504
0.519
0.494
0.507
0.521
0.498
0.509
0.623
0.503
0.510
0.525
Table 10
Ratio of number reection coecient for incidence at angle to that for normal incidence, electrons incident on a gold foil. Results
from MTRAN (based on 1 million histories for each angle) are compared with the measurements
Degree (8)
0
10
20
30
40
50
60
70
75
80
20 keV
25 keV
40 keV
60 keV
MTRAN
NEU
MTRAN
DRE
MTRAN
NEU
MTRAN
NEU
1.000
1.010
1.034
1.081
1.144
1.227
1.327
1.451
1.525
1.609
1.000
1.006
1.037
1.081
1.147
1.231
1.339
1.486
1.568
1.609
1.000
1.010
1.037
1.082
1.143
1.224
1.323
1.445
1.517
1.599
1.000
1.015
1.040
1.092
1.146
1.224
1.316
1.460
1.536
1.633
1.000
1.007
1.034
1.077
1.137
1.215
1.311
1.426
1.495
1.576
1.000
1.008
1.035
1.081
1.142
1.226
1.332
1.459
1.541
1.637
1.000
1.010
1.034
1.077
1.155
1.210
1.303
1.417
1.484
1.563
1.000
1.006
1.032
1.076
1.137
1.219
1.318
1.444
1.522
1.619
202
10. Conclusions
The condensed-random-walk code MTRAN predicts
number and energy transmission and reection coecients that are in good agreement with coecients
from the code ITRAN which follows all individual
elastic collisions. This has been veried for electrons
incident normally on gold foils with energies from 128
to 8 keV. The use of the random-hinging procedure
results in improved agreement with ITRAN.
The transmission coecients from MTRAN at 25,
15 and 9.3 keV are in good agreement those from
LEEPS. Those at 128 and 9.3 keV agree with those
from ETRAN (run in CSDA mode). The number of
reection coecients from MTRAN (including primary electrons only) at energies from 20 to 60 keV
agree to within 0.5% with those from LEEPS.
The conclusion can be drawn that the use of the
condensed-random-walk Monte Carlo model, in codes
such as MTRAN, ETRAN or the TIGER series, is
justied for the calculation of integral quantities such
as reection and transmission coecients for high-Z
materials, even for initial electron energies as low as 8
keV. One would expect the model also to give reliable
results for the distribution of deposited energy with
depth.
The calculated transmission coecients are in good
agreement with the measurements of Neubert and
Rogaschewski (1984), but are lower than those
measured by Reimer and Drescher (1977). On the
other hand the calculated reection coecients are in
better agreement with the measurements of Drescher et
al. (1970) than with the measurements of Neubert and
Rogaschewski (1980). There appears to be some inconsistency between the results from the two experimental
groups, which makes the question of the agreement of
MTRAN with the measurements is dicult to resolve.
Comparisons with experiments are also obscured by
the contributions from secondary electrons missing
from MTRAN. The lack of reliable cross section for
the production of secondary electrons in high-Z materials (especially in regard to the initial angular distributions), the lack of reliable elastic scattering below 1
keV and the possible occurrence of irregular surface
eects are all obstacles which make it dicult to
extend the calculations at low energies so as to include
secondary electrons in transport codes.
Angular distributions of reected or transmitted
electrons calculated with MTRAN and ITRAN are
similar, within the limits of statistical error and the
CRW method appears adequate for this purpose.
However, the CSDA treatment in MTRAN and
ITRAN makes them unsuitable for calculating accurate spectra of transmitted electrons, but could be
accomplished by CRW codes such as ETRAN or
PENELOPE at high energies, and LEEPS at low ener-
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